AG00C77K

3816-66-8 | Benzonitrile, 3-hydroxy-4-methyl-

AG00C77K

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CAS Number	3816-66-8
Catalog Number	AG00C77K(AGN-PC-01LRJL)
Chemical Name	Benzonitrile, 3-hydroxy-4-methyl-
IUPAC Name	3-hydroxy-4-methylbenzonitrile
InChI	InChI=1S/C8H7NO/c1-6-2-3-7(5-9)4-8(6)10/h2-4,10H,1H3
InChI Key	UXNPMDKLHYMKBZ-UHFFFAOYSA-N
MDL Number	MFCD08361769
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	C1=C(C=CC(=C1O)C)C#N
Synonyms	3-Hydroxy-4-methylbenzonitrile, 3816-66-8, Benzonitrile, 3-hydroxy-4-methyl-, 3-Hydroxy-4-methyl-benzonitrile, EC-000.1787, PubChem19802, 5-Cyan-2-methylphenol, SCHEMBL68647, 4-methyl-3-hydroxybenzonitrile, BEN162, 5-CYANO-2-METHYLPHENOL, CTK8B5735, KS-00000FPW, 4-CYANO-2-HYDROXYTOLUENE, DTXSID20590771, UXNPMDKLHYMKBZ-UHFFFAOYSA-N, ANW-49861, CL9002, MFCD08361769, ZINC22114923, AKOS006291613, CS-W018936, GS-4136, MB06106, MCULE-5376531921, RP20052, AJ-81032, AK-50420, AM808203, BR-50420, CJ-17326, EN001617, S687, SC-68306, SY030296, AB0018732, TC-138606, 4CH-007065, FT-0748152, ST24028546, MFCD08361769 (95%), M-3416, J-512637, Z1575143753, C8H7NO, Benzonitrile,3-hydroxy-4-methyl-, ACN-050386,

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	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number