AG00738X

42164-79-4 | 2-Hydroxy-2-(3-nitrophenyl)acetic acid

AG00738X

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CAS Number	42164-79-4
Catalog Number	AG00738X(AGN-PC-00NMG6)
Chemical Name	2-Hydroxy-2-(3-nitrophenyl)acetic acid
IUPAC Name	2-hydroxy-2-(3-nitrophenyl)acetic acid
InChI	InChI=1S/C8H7NO5/c10-7(8(11)12)5-2-1-3-6(4-5)9(13)14/h1-4,7,10H,(H,11,12)
InChI Key	KNSULVUQBMUBCX-UHFFFAOYSA-N
MDL Number	MFCD00041429
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	10987
SMILES	O=C(O)C(O)C1=CC=CC([N+]([O-])=O)=C1
Synonyms	2-hydroxy-2-(3-nitrophenyl)acetic acid, 42164-79-4, NSC10987, AC1L5CIC, AC1Q1ZVO, Oprea1_740803, SCHEMBL742437, CHEMBL3247388, SCHEMBL13398884, CTK4I5795, DTXSID10278995, MFCD00041429, NSC-10987, AKOS021983057, alpha-Hydroxy-3-nitrobenzeneacetic acid, DS-9135, MCULE-1805502826, AK158062, Benzeneacetic acid, alpha-hydroxy-3-nitro-, J-509653, Z2238934626, AR-1E2253, CID223373, 2-Hydroxy-5-nitro-phenyl-acetic acid, 5414-59-5,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number