(2E)-3-(4-methoxy-3-methylphenyl)prop-2-enoic acid

(2E)-3-(4-methoxy-3-methylphenyl)prop-2-enoic acid

CAS: 175675-62-4

Formula: C11H12O3

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

IUPAC: (2E)-3-(4-methoxy-3-methylphenyl)prop-2-enoic acid

InChI: InChI=1S/C11H12O3/c1-8-7-9(4-6-11(12)13)3-5-10(8)14-2/h3-7H,1-2H3,(H,12,13)/b6-4+

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.078644246
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KBEPQVCZYNPZHN-GQCTYLIASA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.56
Topological Polar Surface Area	46.53
Polarizability	20.4
Ring Count	1
Rotatable Bond Count	3

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