AG00E8XT

60908-35-2 | (+)-4'-Nitrotartranilic acid

AG00E8XT

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CAS Number	60908-35-2
Catalog Number	AG00E8XT(AGN-PC-0SY36O)
Chemical Name	(+)-4'-Nitrotartranilic acid
IUPAC Name	(2R,3R)-2,3-dihydroxy-4-(4-nitroanilino)-4-oxobutanoic acid
InChI	InChI=1S/C10H10N2O7/c13-7(8(14)10(16)17)9(15)11-5-1-3-6(4-2-5)12(18)19/h1-4,7-8,13-14H,(H,11,15)(H,16,17)/t7-,8-/m1/s1
InChI Key	UEJFXRDWAWAUFQ-HTQZYQBOSA-N
MDL Number	MFCD08461839
Molecular Formula	C10H10N2O7
Molecular Weight	270.1956
SMILES	C1(NC([C@H](O)[C@@H](O)C(=O)O)=O)=CC=C([N+]([O-])=O)C=C1
Synonyms	(+)-4'-Nitrotartranilic acid, 60908-35-2, AC1MC28F, SCHEMBL11763994, ZINC4269488, MFCD08461839, AKOS025402928, FT-0682111, (2R,3R)-2,3-dihydroxy-4-(4-nitroanilino)-4-oxobutanoic acid, Butanoic acid,2,3-dihydroxy-4-[(4-nitrophenyl)amino]-4-oxo-,(2R,3R)-, -4'-Nitrotartranilicacid, CID2760240, 2,3-dihydroxy-3-[(4-nitrophenyl)carbamoyl]propanoic Acid,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	270.049g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	270.197g/mol
Monoisotopic Mass	270.049g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	153A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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