AG00IANU

602-00-6 | Benzoic acid, hydroxynitro-

AG00IANU

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CAS Number	602-00-6
Catalog Number	AG00IANU(AGN-PC-0JPD8V)
Chemical Name	Benzoic acid, hydroxynitro-
IUPAC Name	3-hydroxy-2-nitrobenzoic acid
InChI	InChI=1S/C7H5NO5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)
InChI Key	KPDBKQKRDJPBRM-UHFFFAOYSA-N
MDL Number	MFCD00017003
Molecular Formula	C7H5NO5
Molecular Weight	183.1183
NSC Number	159685
SMILES	O=C(O)C1=CC=CC(O)=C1[N+]([O-])=O
Synonyms	3-HYDROXY-2-NITROBENZOIC ACID, 602-00-6, 3-Hydroxy-2-nitrobenzoicacid, 3-hydroxy-2-nitro-benzoic acid, Benzoic acid, hydroxynitro-, 2-Nitro-3-hydroxybenzoic acid, MFCD00017003, NSC159685, PubChem8846, Nitro-m-oxybenzoesaure, AC1Q5ADI, AC1L6JV6, SCHEMBL71886, KSC288Q8J, ACMC-1B214, 2-nitro-3-oxidanyl-benzoic acid, CTK1I8884, KPDBKQKRDJPBRM-UHFFFAOYSA-N, Benzoic acid, 3-hydroxy-2-nitro-, CS-D1622, KS-00000CG5, ZINC1610714, ANW-33445, CH-189, SBB064690, AKOS015856234, AC-3192, CM12810, GS-3170, MCULE-1899116810, NSC-159685, AJ-90628, AK-32466, AM808202, AN-13223, BC204342, BR-32466, SC-05638, SY005028, AB0010330, AB1005888, DB-006455, ST2417730, TR-037234, 4CH-014155, FT-0080403, FT-0602016, ST50331817, MFCD00017003 (97%), M-2558, 602H006, A832829, AE-562/43459442, I01-5463, Z1948934386, 62862-49-1, null, C7H5NO5, AR-1F3568, CID293291, ACN-050237, A8414, H1324, 3-Hydroxy-2-nitrobenzoic acid, 97% - 1G 1g, 6065-59-4,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.119g/mol
Monoisotopic Mass	183.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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