AG0031JA

30879-49-3 | Ethanone, 1-(5-hydroxy-2-nitrophenyl)-

AG0031JA

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CAS Number	30879-49-3
Catalog Number	AG0031JA(AGN-PC-0JTIT2)
Chemical Name	Ethanone, 1-(5-hydroxy-2-nitrophenyl)-
IUPAC Name	1-(5-hydroxy-2-nitrophenyl)ethanone
InChI	InChI=1S/C8H7NO4/c1-5(10)7-4-6(11)2-3-8(7)9(12)13/h2-4,11H,1H3
InChI Key	PHQWMZYOGOPUIN-UHFFFAOYSA-N
MDL Number	MFCD12827423
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	CC(=O)C1=C(C=CC(O)=C1)[N+]([O-])=O
Synonyms	1-(5-Hydroxy-2-nitrophenyl)ethanone, 30879-49-3, 5'-Hydroxy-2'-nitroacetophenone, Ethanone, 1-(5-hydroxy-2-nitrophenyl)-, AC1LC9QF, SCHEMBL4456465, CTK8C0434, PHQWMZYOGOPUIN-UHFFFAOYSA-, 2'-Nitro-5'-hydroxyacetophenone, DTXSID30344464, PHQWMZYOGOPUIN-UHFFFAOYSA-N, 1-acetyl-5-hydroxy-2-nitrobenzene, ALBB-023703, 3275AB, ANW-64672, MFCD12827423, ZINC32205726, AKOS015891097, DS-4140, MCULE-9459328675, 1-(5-Hydroxy-2-nitrophenyl)ethanone #, 1-(5-hydroxy-2-nitrophenyl)ethan-1-one, AJ-84998, TC-153417, ST45021401, 879H493, I01-8224, InChI=1/C8H7NO4/c1-5(10)7-4-6(11)2-3-8(7)9(12)13/h2-4,11H,1H3, C8H7NO4, CID597084, T3127,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^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	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number