4-Hydroxy-3-methylbenzonitrile - CAS 15777-70-5

Catalog:	BB060836
Product Name:	4-Hydroxy-3-methylbenzonitrile
CAS:	15777-70-5
Synonyms:	4-hydroxy-3-methylbenzonitrile; 4-hydroxy-3-methyl-benzonitrile; Benzonitrile, 4-hydroxy-3-methyl-; 4-cyanocresol; 4-CYANO-2-METHYLPHENOL; 3-methyl-4-hydroxybenzonitrile; 3-methyl-4-hydroxy-benzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-hydroxy-3-methylbenzonitrile
Description:	4-Hydroxy-3-methylbenzonitrile
Molecular Weight:	133.15
Molecular Formula:	C8H7NO
Canonical SMILES:	CC1=C(C=CC(=C1)C#N)O
InChI:	InChI=1S/C8H7NO/c1-6-4-7(5-9)2-3-8(6)10/h2-4,10H,1H3
InChI Key:	WTTADDGUHFYGEH-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.052763847
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	44Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1