AG001PPE

15777-70-5 | Benzonitrile, 4-hydroxy-3-methyl-

AG001PPE

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CAS Number	15777-70-5
Catalog Number	AG001PPE(AGN-PC-0NDLT9)
Chemical Name	Benzonitrile, 4-hydroxy-3-methyl-
IUPAC Name	4-hydroxy-3-methylbenzonitrile
InChI	InChI=1S/C8H7NO/c1-6-4-7(5-9)2-3-8(6)10/h2-4,10H,1H3
InChI Key	WTTADDGUHFYGEH-UHFFFAOYSA-N
MDL Number	MFCD11848762
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	N#CC1=CC=C(O)C(C)=C1
Synonyms	4-hydroxy-3-methylbenzonitrile, 15777-70-5, Benzonitrile, 4-hydroxy-3-methyl-, 4-cyanocresol, 4-hydroxy-3-methyl-benzonitrile, 2-methyl-4-cyanophenol, AC1Q2G6M, 3-methyl-4-hydroxybenzonitrile, SCHEMBL2331670, 4-CYANO-2-METHYLPHENOL, 3-methyl-4-hydroxy-benzonitrile, WTTADDGUHFYGEH-UHFFFAOYSA-N, MFCD11848762, ZINC37733063, AKOS008140745, CS-W006508, MB10144, MCULE-2666318415, NE36795, AC-28624, AK167047, AS-19632, SC-36473, EN300-64165, CID10964560,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.053g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	133.15g/mol
Monoisotopic Mass	133.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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