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(2E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid

(2E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid

CAS: 709007-50-1

Formula: C9H8O5

SMILES: OC(=O)C=CC1=CC(O)=C(O)C(O)=C1

IUPAC: (2E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C9H8O5/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,10-11,14H,(H,12,13)/b2-1+

Composition: C (55.11%), H (4.11%), O (40.78%)

Molar Mass: 196.158

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 196.037173358
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 4
InChIKey ACEAELOMUCBPJP-OWOJBTEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49
Topological Polar Surface Area 97.99
Polarizability 18.05
Ring Count 1
Rotatable Bond Count 2

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