Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(Methoxycarbonyl)phenylacetic acid |
EINECS | N/A |
CAS No. | 22744-12-3 | Density | 1.255 g/cm3 |
PSA | 63.60000 | LogP | 1.10030 |
Solubility | N/A | Melting Point |
112-115 °C |
Formula | C10H10O4 | Boiling Point | 349.59 °C at 760 mmHg |
Molecular Weight | 194.187 | Flash Point | 140.007 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-methoxycarbonylphenylacetic acid; 4-carboxymethyl-benzoic acid methyl ester; QC-8371 |
Article Data | 39 |
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