3-acetyl-4-hydroxybenzonitrile

3-acetyl-4-hydroxybenzonitrile

CAS: 35794-84-4

Formula: C9H7NO2

SMILES: CC(=O)C1=C(O)C=CC(=C1)C#N

IUPAC: 3-acetyl-4-hydroxybenzonitrile

InChI: InChI=1S/C9H7NO2/c1-6(11)8-4-7(5-10)2-3-9(8)12/h2-4,12H,1H3

Composition: C (67.08%), H (4.38%), N (8.69%), O (19.85%)

Molar Mass: 161.16

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	161.047678469
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HSZUUVJFZOGAMB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.16
Topological Polar Surface Area	61.09
Polarizability	16.51
Ring Count	1
Rotatable Bond Count	1

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