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Benzeneaceticacid, 4-hydroxy-3-methyl-

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Name

Benzeneaceticacid, 4-hydroxy-3-methyl-

EINECS N/A
CAS No. 29121-56-0 Density 1.263 g/cm3
PSA 57.53000 LogP 1.32770
Solubility N/A Melting Point N/A
Formula C9H10O3 Boiling Point 346.03 °C at 760 mmHg
Molecular Weight 166.177 Flash Point 177.27 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 29121-56-0 (2-(4-HYDROXY-3-METHYLPHENYL)ACETIC ACID) Hazard Symbols N/A
Synonyms

Aceticacid, (4-hydroxy-m-tolyl)- (8CI);(4-Hydroxy-3-methylphenyl)acetic acid;2-(4-Hydroxy-3-methylphenyl)acetic acid;

Article Data 3

Benzeneaceticacid, 4-hydroxy-3-methyl- Specification

The Benzeneaceticacid, 4-hydroxy-3-methyl-, with the CAS registry number 29121-56-0, has the systematic name of (4-hydroxy-3-methylphenyl)acetic acid. It belongs to the product categories of Aromatic Phenylacetic acids and Derivatives. And the molecular formula of this chemical is C9H10O3.

The physical properties of Benzeneaceticacid, 4-hydroxy-3-methyl- are as following: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4):  ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 44.073 cm3; (15)Molar Volume: 131.581 cm3; (16)Polarizability: 17.472×10-24cm3; (17)Surface Tension: 54.994 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 177.27 °C; (20)Enthalpy of Vaporization: 62.282 kJ/mol; (21)Boiling Point: 346.03 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(CC(O)=O)ccc1O
(2)InChI: InChI=1/C9H10O3/c1-6-4-7(5-9(11)12)2-3-8(6)10/h2-4,10H,5H2,1H3,(H,11,12)
(3)InChIKey: JQJMAHBZVDMIIT-UHFFFAOYAF

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