AG00DKZ2

448961-58-8 | Benzonitrile, 4-hydroxy-2,3-dimethyl- (9CI)

AG00DKZ2

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CAS Number	448961-58-8
Catalog Number	AG00DKZ2(AGN-PC-0WD3UI)
Chemical Name	Benzonitrile, 4-hydroxy-2,3-dimethyl- (9CI)
IUPAC Name	4-hydroxy-2,3-dimethylbenzonitrile
InChI	InChI=1S/C9H9NO/c1-6-7(2)9(11)4-3-8(6)5-10/h3-4,11H,1-2H3
InChI Key	LUOBVTFFWKJVTN-UHFFFAOYSA-N
MDL Number	MFCD13659357
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	N#CC1=CC=C(O)C(C)=C1C
Synonyms	4-Hydroxy-2,3-dimethylbenzonitrile, 448961-58-8, Benzonitrile, 4-hydroxy-2,3-dimethyl- (9CI), SCHEMBL7056620, CTK8I7709, DTXSID00597622, 2,3-Dimethyl-4-hydroxybenzonitrile, MFCD13659357, RW2691, ZINC39059033, FCH1180055, AJ-97790, AS-39680, AX8282054, CS-0038206, W-4508, 4-hydroxy-2,3-dimethyl-benzonitrile, Benzonitrile,4-hydroxy-2,3-dimethyl-, ACN-028981,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	147.177g/mol
Monoisotopic Mass	147.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2811

Certificate of Analysis

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