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3-(hydroxymethyl)benzoic acid

3-(hydroxymethyl)benzoic acid

CAS: 28286-79-5

Formula: C8H8O3

SMILES: OCC1=CC=CC(=C1)C(O)=O

IUPAC: 3-(hydroxymethyl)benzoic acid

InChI: InChI=1S/C8H8O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2,(H,10,11)

Composition: C (63.15%), H (5.30%), O (31.55%)

Molar Mass: 152.149

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 152.047344118
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UOKBFIOAEPCADP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.13
Topological Polar Surface Area 57.53
Polarizability 15.13
Ring Count 1
Rotatable Bond Count 2

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