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537-15-5

Basic Information
CAS No.: 537-15-5
Name: Benzenepropanoic acid, a-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-
Molecular Structure:
Molecular Structure of 537-15-5 (Benzenepropanoic acid, a-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-)
Formula: C18H16O8
Molecular Weight: 360.32
Synonyms: Rosmarin-saeure;3-METHYL-2-BUTENYLTHIOPHENE;Rose thiophene;
EINECS: N/A
Density: 1.547 g/cm3
Melting Point: 171-175 °C(lit.)
Boiling Point: 694.7 °C at 760 mmHg
Flash Point: 254.5 °C
Solubility: Soluble in 100% ethanol, DMSO or dimethyl formamide; also soluble in PBS.
Appearance: White to brown solid.
Hazard Symbols: IrritantXi
Risk Codes: 36/38
Safety: 26-37/39
Transport Information: N/A
PSA: 144.52000
LogP: 1.76130
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  • Rosmarinicacid

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    537-15-5

    Rosmarinicacid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Best quality with low price Storage:ln stock Package:25kg/Barrel Application:Chemicals Transportation:Express/Sea/Air Port:Shanghai

    Sartort Biopharma is a leading company engaging in the production of Intermediates, fine chemicals, Ionic liquids and 3D printing materials. It has such controlled subsidiaries as

  •  Hangzhou Sartort Biopharma Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-571-28069376

    Address:914-915, Bldg. 16, No. 57, Tech Park Road, Baiyang Street, Economic And Technological Development Zone

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Specification

The Benzenepropanoic acid, alpha-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, with the CAS registry number 537-15-5, is also known as Benzenepropanoic acid, alpha-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-. This chemical's molecular formula is C18H16O8 and molecular weight is 360.31. Its IUPAC name is called (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid. This chemical's classification codes are Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory Agents; Anti-inflammatory agents, non-steroidal; Antioxidants; Antirheumatic Agents; Enzyme Inhibitors; Hematologic Agents; Peripheral Nervous System Agents; Platelet aggregation inhibitors; Protease Inhibitors; Protective Agents; Sensory System Agents; Serine proteinase inhibitors.

Physical properties of Benzenepropanoic acid, alpha-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): -2.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.713; (13)Molar Refractivity: 91.35 cm3; (14)Molar Volume: 232.8 cm3; (15)Surface Tension: 84.3 dyne/cm; (16)Density: 1.547 g/cm3; (17)Flash Point: 254.5 °C; (18)Enthalpy of Vaporization: 106.87 kJ/mol; (19)Boiling Point: 694.7 °C at 760 mmHg; (20)Vapour Pressure: 2.92E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(OC(=O)\C=C\c1ccc(O)c(O)c1)Cc2cc(O)c(O)cc2
(2)InChI: InChI=1/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+
(3)InChIKey: DOUMFZQKYFQNTF-ZZXKWVIFBW