AG00DH8F

55289-04-8 | 3-Hydroxy-2-methylbenzonitrile

AG00DH8F

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CAS Number	55289-04-8
Catalog Number	AG00DH8F(AGN-PC-03RAF8)
Chemical Name	3-Hydroxy-2-methylbenzonitrile
IUPAC Name	3-hydroxy-2-methylbenzonitrile
InChI	InChI=1S/C8H7NO/c1-6-7(5-9)3-2-4-8(6)10/h2-4,10H,1H3
InChI Key	BQAMEYNBQIHQPO-UHFFFAOYSA-N
MDL Number	MFCD02683035
Molecular Formula	C8H7NO
Molecular Weight	133.1473
SMILES	N#CC1=CC=CC(O)=C1C
Synonyms	3-HYDROXY-2-METHYLBENZONITRILE, 55289-04-8, SCHEMBL2137032, 3-CYANO-2-METHYLPHENOL, CTK1G7734, KS-00000NMM, DTXSID10626957, BQAMEYNBQIHQPO-UHFFFAOYSA-N, ZINC2583411, ANW-53760, MFCD02683035, AKOS006277473, MB02463, MP-0641, RP20053, AJ-43215, AK-31976, CJ-10291, DS-11629, SC-36667, AB0061420, DB-071973, ST2417729, TR-019497, 4CH-015581, FT-0647180, Z4876, J-512621, C8H7NO, 3-Hydroxy-2-methyl-benzonitrile,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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