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(2E)-3-(4-methoxyphenyl)-2-methylprop-2-enoic acid

(2E)-3-(4-methoxyphenyl)-2-methylprop-2-enoic acid

CAS: 13048-80-1

Formula: C11H12O3

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

IUPAC: (2E)-3-(4-methoxyphenyl)-2-methylprop-2-enoic acid

InChI: InChI=1S/C11H12O3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+

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 SVHHFLSABYBJTE-BQYQJAHWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.88
Topological Polar Surface Area 46.53
Polarizability 20.48
Ring Count 1
Rotatable Bond Count 3

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