AG00C7HX

38335-24-9 | P-NITROPHENYLPYRUVIC ACID

AG00C7HX

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CAS Number	38335-24-9
Catalog Number	AG00C7HX(AGN-PC-0RG8TX)
Chemical Name	P-NITROPHENYLPYRUVIC ACID
IUPAC Name	3-(4-nitrophenyl)-2-oxopropanoic acid
InChI	InChI=1S/C9H7NO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4H,5H2,(H,12,13)
InChI Key	CIGYFQSAFKLMAL-UHFFFAOYSA-N
MDL Number	MFCD00031314
Molecular Formula	C9H7NO5
Molecular Weight	209.1556
NSC Number	28690
SMILES	O=C(CC1=CC=C([N+]([O-])=O)C=C1)C(O)=O
Synonyms	p-Nitrophenylpyruvic acid, 38335-24-9, 3-(4-Nitrophenyl)-2-oxopropanoic acid, 3-(4-Nitrophenyl)-2-oxo-propionic acid, 3-(4-NITROPHENYL)-2-OXO-PROPANOIC ACID, FR-2150, (4-nitrophenyl)pyruvic acid, (p-Nitrophenyl)pyruvic acid, AC1L5MOE, AC1Q5BXG, p - Nitrophenylpyruvic acid, SCHEMBL5160372, CTK1C6721, DTXSID70282912, CIGYFQSAFKLMAL-UHFFFAOYSA-N, NSC28690, ZINC1646626, ARJ102891, MFCD00031314, NSC-28690, SBB008481, AKOS000138684, alpha-Oxo-4-nitrobenzenepropanoic acid, BBV-021417, DS-3307, MCULE-6223294787, 2-Oxo-3-[4-nitrophenyl]propanoic acid, 4-Nitro-alpha-oxo-benzenepropanoic acid, ACM38335249, AK501690, CC-12541, ST086512, 3-(4-Nitro-phenyl)-2-oxo-propionic acid, 3-(4-Nitrophenyl)-2-oxopropanoic acid #, benzenepropanoic acid, 4-nitro-alpha-oxo-, DB-049269, TR-033550, CS-0045326, FT-0639458, J3.559.176A, C-10699, 4-Nitro-a-oxo-benzenepropanoic acid, AR-1L1395, CID231892, Benzenepropanoic acid, 4-nitro-.alpha.-oxo-, 480-43-3,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.032g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.157g/mol
Monoisotopic Mass	209.032g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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