2-[(2E)-3-(3-methoxyphenyl)prop-2-en-1-ylidene]propanedioic acid

2-[(2E)-3-(3-methoxyphenyl)prop-2-en-1-ylidene]propanedioic acid

CAS: 14160-39-5

Formula: C13H12O5

SMILES: COC1=CC=CC(C=CC=C(C(O)=O)C(O)=O)=C1

IUPAC: 2-[(2E)-3-(3-methoxyphenyl)prop-2-en-1-ylidene]propanedioic acid

InChI: InChI=1S/C13H12O5/c1-18-10-6-2-4-9(8-10)5-3-7-11(12(14)15)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)/b5-3+

Composition: C (62.90%), H (4.87%), O (32.23%)

Molar Mass: 248.234

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.068473486
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	MGLHHXROZCJFQL-HWKANZROSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.92
Topological Polar Surface Area	83.83
Polarizability	24.48
Ring Count	1
Rotatable Bond Count	5

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