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46427-07-0

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Basic Information
CAS No.: 46427-07-0
Name: Butanedioic acid, (phenylmethylene)-, (E)-
Article Data: 14
Molecular Structure:
Molecular Structure of 46427-07-0 (Butanedioic acid, (phenylmethylene)-, (E)-)
Formula: C11H10O4
Molecular Weight: 206.198
Synonyms: 2-Benzylidene succinic acid;2-Benzylidenesuccinic acid;2-Propene-1,2-dicarboxylic acid, 3-phenyl-;Butanedioic acid, (phenylmethylene)-;Succinic acid, benzylidene-;
Density: 1.352 g/cm3
Boiling Point: 420.2 °C at 760 mmHg
Flash Point: 222.1 °C
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Specification

The Butanedioic acid, (phenylmethylene)-, (E)-, with the CAS registry number 46427-07-0, is also known as 2-Benzylidene succinic acid and 2-Benzylidenesuccinic acid. This chemical's molecular formula is C11H10O4 and molecular weight is 206.1947. What's more, its systematic name is (2E)-2-Benzylidenebutanedioic acid.

Physical properties about Butanedioic acid, (phenylmethylene)-, (E)- are: (1)ACD/LogP: 2.77; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 54.37 cm3; (13)Molar Volume: 152.4 cm3; (14)Polarizability: 21.55×10-24 cm3; (15)Surface Tension: 63 dyne/cm; (16)Density: 1.352 g/cm3; (17)Flash Point: 222.1 °C; (18)Enthalpy of Vaporization: 71.06 kJ/mol; (19)Boiling Point: 420.2 °C at 760 mmHg; (20)Vapour Pressure: 8.23E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(/C(=O)O)=C\c1ccccc1
(2) InChI: InChI=1/C11H10O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13)(H,14,15)/b9-6+
(3) InChIKey: KYILORDWJFEQBS-RMKNXTFCBH