AG005ZD7

95658-81-4 | 3-Hydroxy-5-methylbenzonitrile

AG005ZD7

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CAS Number	95658-81-4
Catalog Number	AG005ZD7(AGN-PC-03I6CW)
Chemical Name	3-Hydroxy-5-methylbenzonitrile
IUPAC Name	3-hydroxy-5-methylbenzonitrile
InChI	InChI=1S/C8H7NO/c1-6-2-7(5-9)4-8(10)3-6/h2-4,10H,1H3
InChI Key	OATUMQZBLZQKBX-UHFFFAOYSA-N
MDL Number	MFCD16999137
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	N#CC1=CC(C)=CC(O)=C1
Synonyms	3-Hydroxy-5-methylbenzonitrile, 95658-81-4, 3-Cyano-5-methylphenol, Benzonitrile, 3-hydroxy-5-methyl-, SCHEMBL509567, 3-Hydroxy-5-methyl-benzonitrile, CTK8C0129, 3-CYANO-5-HYDROXYTOLUENE, DTXSID60620622, OATUMQZBLZQKBX-UHFFFAOYSA-N, KS-00000P7Q, ANW-64182, MFCD16999137, ZINC81990580, AKOS015891318, AS06386, CM10560, DS-2087, MB25636, MP-1102, AK-92963, CJ-21990, SC-49234, TS-01717, AJ-124048, DB-080322, TC-152927, 4CH-010944, FT-0687036, ST24022908, Z5409, I01-9757, C8H7NO, 3,5-Dimethylphenol, 99+%,

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	1.6

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

Lot Number