4-tert-butyl-2-hydroxybenzonitrile

4-tert-butyl-2-hydroxybenzonitrile

CAS: 145818-28-6

Formula: C11H13NO

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

IUPAC: 4-tert-butyl-2-hydroxybenzonitrile

InChI: InChI=1S/C11H13NO/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-6,13H,1-3H3

Composition: C (75.40%), H (7.48%), N (7.99%), O (9.13%)

Molar Mass: 175.231

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.099714043
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QTLNIYPZXDQTKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.43
Topological Polar Surface Area	44.02
Polarizability	20.05
Ring Count	1
Rotatable Bond Count	1

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