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4-hydroxy-2-methylbenzoic acid

4-hydroxy-2-methylbenzoic acid

CAS: 578-39-2

Formula: C8H8O3

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

IUPAC: 4-hydroxy-2-methylbenzoic acid

InChI: InChI=1S/C8H8O3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3,(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 BBMFSGOFUHEVNP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.34
Topological Polar Surface Area 57.53
Polarizability 15.05
Ring Count 1
Rotatable Bond Count 1

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