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| CAS No.: | 22744-12-3 |
|---|---|
| Name: | 2-(4-(Methoxycarbonyl)phenyl)acetic acid |
| Article Data: | 39 |
| Molecular Structure: | |
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| Formula: | C10H10O4 |
| Molecular Weight: | 194.187 |
| Synonyms: | 4-methoxycarbonylphenylacetic acid; 4-carboxymethyl-benzoic acid methyl ester; QC-8371 |
| Density: | 1.255 g/cm3 |
| Melting Point: | 112-115 °C |
| Boiling Point: | 349.59 °C at 760 mmHg |
| Flash Point: | 140.007 °C |
| PSA: | 63.60000 |
| LogP: | 1.10030 |
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Specification
This chemical is called 2-(4-(Methoxycarbonyl)phenyl)acetic acid, and its systematic name is [4-(methoxycarbonyl)phenyl]acetic acid. With the molecular formula of C10H10O4, its molecular weight is 194.18. The CAS registry number of this chemical is 22744-12-3.
Other characteristics of the 2-(4-(Methoxycarbonyl)phenyl)acetic acid can be summarised as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.6 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 49.14 cm3; (15)Molar Volume: 154.769 cm3; (16)Polarizability: 19.481×10-24cm3; (17)Surface Tension: 49.496 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 140.007 °C; (20)Enthalpy of Vaporization: 62.695 kJ/mol; (21)Boiling Point: 349.59 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)Cc1ccc(cc1)C(=O)OC
2.InChI: InChI=1/C10H10O4/c1-14-10(13)8-4-2-7(3-5-8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
3.InChIKey: TXZVCDJZNRCDKW-UHFFFAOYAT