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Propanoic acid, 3-(4-formylphenoxy)-

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Name

Propanoic acid, 3-(4-formylphenoxy)-

EINECS N/A
CAS No. 70170-91-1 Density 1.33 g/cm3
PSA 63.60000 LogP 1.35260
Solubility N/A Melting Point 289-293 °C(lit.)
Formula C10H10O4 Boiling Point 406.1 °C at 760 mmHg
Molecular Weight 194.187 Flash Point 213.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 70170-91-1 (3-(4-CARBOXYPHENYL)PROPIONIC ACID, 98) Hazard Symbols IrritantXi
Synonyms

Propionic acid, 3-(p-formylphenoxy)-(7CI);

Article Data 3

Propanoic acid, 3-(4-formylphenoxy)- Specification

The CAS registry number of Propanoic acid, 3-(4-formylphenoxy)- is 70170-91-1. This chemical is also named as 3-(4-Carboxyphenyl)propanoic acid. In addition, its molecular formula is C10H10O4 and molecular weight is 194.184. Its systematic name is called 4-(2-carboxyethyl)benzoic acid.

Physical properties about Propanoic acid, 3-(4-formylphenoxy)- are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.08; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.585; (11)Molar Refractivity: 48.92 cm3; (12)Molar Volume: 145.9 cm3; (13)Surface Tension: 60.8 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 213.6 °C; (16)Enthalpy of Vaporization: 69.36 kJ/mol; (17)Boiling Point: 406.1 °C at 760 mmHg.

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.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)CCC(=O)O
(2)InChI: InChI=1/C10H10O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)(H,13,14)
(3)InChIKey: QSPCOYVUYYFWAU-UHFFFAOYAS

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