AG00DKTP

54255-50-4 | Ethanone, 1-(3-amino-4-hydroxyphenyl)- (9CI)

AG00DKTP

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CAS Number	54255-50-4
Catalog Number	AG00DKTP(AGN-PC-00NPR2)
Chemical Name	Ethanone, 1-(3-amino-4-hydroxyphenyl)- (9CI)
IUPAC Name	1-(3-amino-4-hydroxyphenyl)ethanone
InChI	InChI=1S/C8H9NO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,9H2,1H3
InChI Key	OMLRRXLWJXURTK-UHFFFAOYSA-N
MDL Number	MFCD06657507
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
SMILES	CC(C1=CC=C(O)C(N)=C1)=O
Synonyms	1-(3-amino-4-hydroxyphenyl)ethanone, 54255-50-4, 1-(3-amino-4-hydroxyphenyl)ethan-1-one, 2-amino-4-methylcarbonylphenol, Ethanone, 1-(3-amino-4-hydroxyphenyl)-, 2-amino-4-acetylphenol, SCHEMBL3287715, CTK1F9257, 3'-Amino-4'-hydroxyacetophenone, DTXSID40547686, OMLRRXLWJXURTK-UHFFFAOYSA-N, ALBB-014349, ZX-AN013075, 7803AB, FCH922799, MFCD06657507, ZINC34133818, AKOS005174352, AS-8002, MCULE-7201216813, KS-00003H63, AJ-87111, OR110942, AX8175948, R9267, EN300-150590, C8H9NO2, Ethanone, 1-(3-amino-4-hydroxyphenyl)- (9CI),

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	151.165g/mol
Monoisotopic Mass	151.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number