(2E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid

(2E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid

CAS: 20767-04-8

Formula: C11H12O4

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

IUPAC: (2E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C11H12O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b4-3+

Composition: C (63.45%), H (5.81%), O (30.74%)

Molar Mass: 208.213

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.073558866
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VLSRUFWCGBMYDJ-ONEGZZNKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.99
Topological Polar Surface Area	55.76
Polarizability	21.18
Ring Count	1
Rotatable Bond Count	4

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