AG00DFVM

4640-29-3 | 2,5-Dihydroxybenzonitrile

AG00DFVM

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CAS Number	4640-29-3
Catalog Number	AG00DFVM(AGN-PC-0JLRBK)
Chemical Name	2,5-Dihydroxybenzonitrile
EC Number	225-068-0
IUPAC Name	2,5-dihydroxybenzonitrile
InChI	InChI=1S/C7H5NO2/c8-4-5-3-6(9)1-2-7(5)10/h1-3,9-10H
InChI Key	APGLXTXFTYAQKC-UHFFFAOYSA-N
MDL Number	MFCD00797121
Molecular Formula	C7H5NO2
Molecular Weight	135.1201
SMILES	N#CC1=CC(O)=CC=C1O
Synonyms	2,5-Dihydroxybenzonitrile, 4640-29-3, Benzonitrile, 2,5-dihydroxy-, AK383593, 2,5-dihydroxyphenylcyanide, EINECS 225-068-0, Gentisonitrile, cyanohydroquinone, 2-Cyanohydroquinone, AC1Q4RBV, AC1L2V3C, SCHEMBL1267040, 2,5-dihydroxybenzenecarbonitrile, CTK1D7997, KS-00000LOY, DTXSID80196834, APGLXTXFTYAQKC-UHFFFAOYSA-N, ZINC405075, MFCD00797121, AKOS015856473, ACM4640293, FCH1146403, MCULE-9544754967, AC-22654, DS-12870, DB-024702, TC-062625, FT-0699693, ST51045571, 2,5-dihydroxy-Benzonitrile, C7-H5-N-O2, CID78374, AR-1D4342, 49638-64-4,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.032g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	135.122g/mol
Monoisotopic Mass	135.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number