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39270-55-8

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Basic Information
CAS No.: 39270-55-8
Name: 4-(oxoacetyl)phenoxyacetic acid
Molecular Structure:
Molecular Structure of 39270-55-8 (4-(oxoacetyl)phenoxyacetic acid)
Formula: C10H8O5
Molecular Weight: 208.17
Synonyms: Aceticacid, [4-(oxoacetyl)phenoxy]- (9CI);4-Carboxymethoxyphenylglyoxal;4-Glyoxyloylphenoxyacetic acid;[4-(Oxoacetyl)phenoxy]aceticacetic;Acid, 2-[4-(1,2-dioxoethyl)phenoxy]- acid;Acetic acid, (4-(oxoacetyl)phenoxy)-;AC1Q6PIJ;AC1L553I;KST-1A5207;AR-1A9057;CID170173;
Density: 1.356 g/cm3
Boiling Point: 389.2 °C at 760 mmHg
Flash Point: 157.7 °C
PSA: 80.67000
LogP: 0.53160
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Specification

The Acetic acid,2-[4-(2-oxoacetyl)phenoxy]- with CAS registry number of 39270-55-8 is also known as 4-Carboxymethoxyphenylglyoxal. The IUPAC name is 2-(4-Oxaldehydoylphenoxy)acetic acid. In addition, the formula is C10H8O5 and the molecular weight is 208.17.

Physical properties about Acetic acid,2-[4-(2-oxoacetyl)phenoxy]- are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.2; (4)ACD/LogD (pH 7.4): -3.35; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 69.67Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 49.34 cm3; (15)Molar Volume: 153.4 cm3; (16)Polarizability: 19.56×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.356 g/cm3; (19)Flash Point: 157.7 °C; (20)Enthalpy of Vaporization: 67.34 kJ/mol; (21)Boiling Point: 389.2 °C at 760 mmHg; (22)Vapour Pressure: 9.38E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=CC(=O)c1ccc(OCC(=O)O)cc1
2. InChI: InChI=1/C10H8O5/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-5H,6H2,(H,13,14)
3. InChIKey: GUKBSZIPEVVOGO-UHFFFAOYAI
4. Std. InChI: InChI=1S/C10H8O5/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-5H,6H2,(H,13,14)
5. Std. InChIKey: GUKBSZIPEVVOGO-UHFFFAOYSA-N