AG004M3R

85223-94-5 | 4-Hydroxy-2,5-dimethylbenzonitrile

AG004M3R

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CAS Number	85223-94-5
Catalog Number	AG004M3R(AGN-PC-0UYXZN)
Chemical Name	4-Hydroxy-2,5-dimethylbenzonitrile
IUPAC Name	4-hydroxy-2,5-dimethylbenzonitrile
InChI	InChI=1S/C9H9NO/c1-6-4-9(11)7(2)3-8(6)5-10/h3-4,11H,1-2H3
InChI Key	DGCLRFNSBZRROX-UHFFFAOYSA-N
MDL Number	MFCD01570772
Molecular Formula	C9H9NO
Molecular Weight	147.1739
SMILES	CC1=CC(C#N)=C(C)C=C1O
Synonyms	4-Hydroxy-2,5-dimethylbenzonitrile, 85223-94-5, 2,5-DIMETHYL-4-HYDROXYBENZONITRILE, KSC495S8B, SCHEMBL7714672, CTK3J5980, DTXSID70626958, KS-000011GF, 3204AC, ANW-58375, FCH843563, MFCD01570772, ZINC14989285, AKOS006279549, AS02575, AJ-66689, AK-81786, BC227686, CJ-14903, AB0061062, AX8035123, RT-002806, ST24043772, C9H9NO, 2,5-DIMETHYLL-4-HYDROXYBENZONITRILE,

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	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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