AG003MWS

645-12-5 | 5-Nitrofuran-2-carboxylic acid

AG003MWS

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CAS Number	645-12-5
Catalog Number	AG003MWS(AGN-PC-0JKANW)
Chemical Name	5-Nitrofuran-2-carboxylic acid
EC Number	211-432-6
IUPAC Name	5-nitrofuran-2-carboxylic acid
InChI	InChI=1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)
InChI Key	IODMEDPPCXSFLD-UHFFFAOYSA-N
MDL Number	MFCD00003240
Molecular Formula	C5H3NO5
Molecular Weight	157.0810
NSC Number	6452
SMILES	O=C(O)C1=CC=C([N+]([O-])=O)O1
Synonyms	5-nitro-2-furoic acid, NFCA, nitrofurate, 5-NITRO-2-FUROIC ACID, 645-12-5, 5-Nitrofuran-2-carboxylic acid, Nitrofurate, 5-Nitrofuroic acid, 2-Furoic acid, 5-nitro-, 5-Nitro-2-furancarboxylic Acid, 5-Nitropyromucate, 5-Nitrofurancarboxylic acid, 2-Furancarboxylic acid, 5-nitro-, CCRIS 1197, NSC 6452, EINECS 211-432-6, MFCD00003240, BRN 0139373, AI3-23599, IODMEDPPCXSFLD-UHFFFAOYSA-N, 5-Nitropyromucic acid, ACMC-209nms, 5-nitro2-furanoic acid, 2-Carboxy-5-nitrofuran, 5-nitro-2-furanoic acid, AC1L1ZW3, AC1Q73EX, CHEMBL1186, Oprea1_282165, Ex167, 5-Nitro-2-furancarboxylicAcid, SCHEMBL1221377, 5-nitro-2-furan-carboxylic acid, 5-Nitro-2-furoic acid, 98%, CTK5C1348, 2-Furancarboxylic acid, 5-nitro, 2-Furancarboxylic acid,5-nitro-, 5-Nitro-furan-2-carboxylic acid, DTXSID00214746, NSC6452, ALBB-031656, KS-000011SU, NSC-6452, ZINC3843106, ANW-34898, BBL013470, SBB028472, STL164369, AKOS000119272, AKOS015894363, MCULE-6085243893, NE10270, VZ30511, 2-Furancarboxylic acid, 5-nitro (9CI), AN-47066, LS-70799, SC-66003, DB-054680, TC-123643, TL8004581, FT-0620695, N0557, ST45029075, AE-641/02433026, I04-9692, F0001-1745, Cuminone, C5H3NO5, C5-H3-N-O5, CID12577, 5-18-06-00139 (Beilstein Handbook Reference),

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.001g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	157.081g/mol
Monoisotopic Mass	157.001g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	96.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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