AG003HEW

66108-30-3 | 2'-HYDROXY-5'-METHYL-3'-NITROACETOPHENONE

AG003HEW

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CAS Number	66108-30-3
Catalog Number	AG003HEW(AGN-PC-03DSD8)
Chemical Name	2'-HYDROXY-5'-METHYL-3'-NITROACETOPHENONE
IUPAC Name	1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone
InChI	InChI=1S/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H3
InChI Key	XSHQMMIEZHWNAK-UHFFFAOYSA-N
MDL Number	MFCD00192216
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	OC1=C(C=C(C=C1[N+](=O)[O-])C)C(C)=O
Synonyms	66108-30-3, 2'-Hydroxy-5'-methyl-3'-nitroacetophenone, 1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone, 2-hydroxy-5-methyl-3-nitroacetophenone, 2-ACETYL-4-METHYL-6-NITROPHENOL, MFCD00192216, Ethanone,1-(2-hydroxy-5-methyl-3-nitrophenyl)-, 1-acetyl-2-hydroxy-5-methyl-3-nitrobenzene, AC1LEHI3, AC1Q1JHI, AC1Q5AKN, 2'-hydroxy-3'-nitro-5'-methylacetophenone, SCHEMBL4132017, SCHEMBL17347339, CTK5C3534, DTXSID90352944, XSHQMMIEZHWNAK-UHFFFAOYSA-N, ZINC155944, 5061AH, FCH932185, SBB057712, AKOS006220491, AKOS015912489, MCULE-3149968316, VZ21895, AS-37913, CC-10940, DB-021189, FT-0641048, ST50331361, A-8483, 1-(2-hydroxy-5-methyl-3-nitro-phenyl)-ethanone, 1-(5-methyl-3-nitro-2-oxidanyl-phenyl)ethanone, 1-(2-hydroxy-5-methyl-3-nitrophenyl)-1-ethanone, 2'-Hydroxy-5'-methyl-3'-nitroacetophenone, 99%, A835338, C-08789, I14-48962, InChI=1/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H, 2 inverted exclamation marka-Hydroxy-5 inverted exclamation marka-methyl-3 inverted exclamation marka-nitroacetophenone, C9H9NO4, KST-1B7118, AR-1B0918, CID736162, H1479, 1-(2-hydroxy-5-methyl-3-nitro-phenyl)ethanone, 2'-Hydroxy-5'-methyl-3'-nitroacetophenone, 99% - 25G 25g, 6631-37-4,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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