AG000LWI

1243444-99-6 | Benzonitrile, 3-amino-5-hydroxy-

AG000LWI

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CAS Number	1243444-99-6
Catalog Number	AG000LWI(AGN-PC-0WA81W)
Chemical Name	Benzonitrile, 3-amino-5-hydroxy-
IUPAC Name	3-amino-5-hydroxybenzonitrile
InChI	InChI=1S/C7H6N2O/c8-4-5-1-6(9)3-7(10)2-5/h1-3,10H,9H2
InChI Key	FCYINOGGOHJKBT-UHFFFAOYSA-N
MDL Number	MFCD16999146
Molecular Formula	C7H6N2O
Molecular Weight	134.1353
SMILES	NC=1C=C(C#N)C=C(C1)O
Synonyms	3-Amino-5-hydroxybenzonitrile, 1243444-99-6, 3-CYANO-5-HYDROXYANILINE, DTXSID50858679, KM3572, MFCD16999146, ZINC95494758, AKOS022176485, FCH1158024, MB37280, AJ-132676, AX8282990, Z8780, C7H6N2O,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	134.138g/mol
Monoisotopic Mass	134.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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

Lot Number