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4-hydroxy-2-methylbenzonitrile

4-hydroxy-2-methylbenzonitrile

CAS: 14143-26-1

Formula: C8H7NO

SMILES: CC1=CC(O)=CC=C1C#N

IUPAC: 4-hydroxy-2-methylbenzonitrile

InChI: InChI=1S/C8H7NO/c1-6-4-8(10)3-2-7(6)5-9/h2-4,10H,1H3

Composition: C (72.17%), H (5.30%), N (10.52%), O (12.02%)

Molar Mass: 133.15

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 133.052763849
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PNQUZYVEQUGPPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.8
Topological Polar Surface Area 44.02
Polarizability 14.52
Ring Count 1
Rotatable Bond Count 0

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