AG003JSI

21606-04-2 | 2-(Methoxycarbonyl)-6-nitrobenzoic acid

AG003JSI

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CAS Number	21606-04-2
Catalog Number	AG003JSI(AGN-PC-05VCO0)
Chemical Name	2-(Methoxycarbonyl)-6-nitrobenzoic acid
EC Number	606-804-3
IUPAC Name	2-methoxycarbonyl-6-nitrobenzoic acid
InChI	InChI=1S/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12)
InChI Key	DJMQLZPEBHSABD-UHFFFAOYSA-N
MDL Number	MFCD00034781
Molecular Formula	C9H7NO6
Molecular Weight	225.1550
SMILES	C(=O)(O)c1c(C(=O)OC)cccc1N(=O)=O
Synonyms	21606-04-2, 2-(methoxycarbonyl)-6-nitrobenzoic acid, 1-Methyl-3-nitrophthalate, 2-Nitro-6-methoxycarbonyl benzoic acid, 2-methoxycarbonyl-6-nitrobenzoic acid, 3-Nitro-phthalic acid 1-Methyl ester, Methyl 2-carboxy-3-nitrobenzoate, 1,2-Benzenedicarboxylicacid, 3-nitro-1-methylester, AK-59666, 3-nitro-2-Carboxyl methyl benzoate, 2-methoxycarbonyl-6-nitro-benzoic Acid, AC1NACBV, BEN007, SCHEMBL2598194, Jsp004386, CTK8C0052, KS-00000CVX, DTXSID30402851, 1-METHYL 3-NITROPHTHALATE, DJMQLZPEBHSABD-UHFFFAOYSA-N, methyl 3-nitro-2-carboxylbenzoate, Methyl 3-nitro-2-carboxyl benzoate, ZINC2167998, 3-Nitrophthalic acid 1-methyl ester, ANW-63954, CM-520, MFCD00034781, RW3124, AKOS002268896, 2-(Methoxycarbonyl)-6-nitrobenzoicAcid, AC-4830, AM84761, QC-2157, TRA0035328, ACM21606042, 6-(methoxycarbonyl)-2-nitrobenzoic acid, AJ-33826, AN-11582, BC201942, DS-16336, R339, SC-53437, SY025404, AB0058608, AX8019387, TC-152699, A4643, FT-0656679, M2795, ST24039673, ST50170924, TL80090827, W-2460, MFCD00034781 (97+%), 606M042, C-45928, 1,2-Benzenedicarboxylic acid, 3-nitro-,1- methyl ester, 1,2-BENZENE DICARBOXYLIC ACID,3-NITRO-1-METHYLESTER, 1,2-BENZENEDICARBOXYLIC ACID, 3-NITRO-1-METHYL ESTER, C9H7NO6, CID4399477,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.027g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.156g/mol
Monoisotopic Mass	225.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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