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3-(2-hydroxy-5-methoxyphenyl)prop-2-enoic acid

3-(2-hydroxy-5-methoxyphenyl)prop-2-enoic acid

CAS: 38489-78-0

Formula: C10H10O4

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

IUPAC: 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C10H10O4/c1-14-8-3-4-9(11)7(6-8)2-5-10(12)13/h2-6,11H,1H3,(H,12,13)

Composition: C (61.85%), H (5.19%), O (32.96%)

Molar Mass: 194.186

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.057908802
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OSKUPNSJCCTTLB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.5
Topological Polar Surface Area 66.76
Polarizability 19.28
Ring Count 1
Rotatable Bond Count 3

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