AG00356Y

89942-77-8 | Methyl 3-hydroxy-2-nitrobenzoate

AG00356Y

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CAS Number	89942-77-8
Catalog Number	AG00356Y(AGN-PC-00NDS3)
Chemical Name	Methyl 3-hydroxy-2-nitrobenzoate
IUPAC Name	methyl 3-hydroxy-2-nitrobenzoate
InChI	InChI=1S/C8H7NO5/c1-14-8(11)5-3-2-4-6(10)7(5)9(12)13/h2-4,10H,1H3
InChI Key	FHCNMPYMCKHBTK-UHFFFAOYSA-N
MDL Number	MFCD00013676
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
SMILES	OC=1C(=C(C(=O)OC)C=CC1)[N+](=O)[O-]
Synonyms	METHYL 3-HYDROXY-2-NITROBENZOATE, 89942-77-8, 3-hydroxy-2-nitro-benzoic acid methyl ester, Benzoic acid, 3-hydroxy-2-nitro-, methyl ester, methyl3-hydroxy-2-nitrobenzoate, SCHEMBL206164, CTK5G7164, DTXSID90546028, FHCNMPYMCKHBTK-UHFFFAOYSA-N, methyl 3-hydroxy -2-nitrobenzoate, 4931AC, ANW-71594, MFCD09951956, ZINC34119902, AKOS006314117, CS-W003695, TRA0083971, AJ-87058, AK-77566, SC-25375, SY005032, 2-Nitro-3-hydroxybenzoic acid methyl ester, 3-hydroxy-2-nitrobenzoic acid methyl ester, DB-013422, ST2407211, TX-017728, 4CH-000462, FT-0709309, Z-3889, MFCD09951956 (97+%), I01-10078, Z2309759148, C8H7NO5, ACN-030410, CS-4294,

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	1
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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