AG005IZJ

713-52-0 | Methyl 3-hydroxy-4-nitrobenzoate

AG005IZJ

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CAS Number	713-52-0
Catalog Number	AG005IZJ(AGN-PC-0JPE64)
Chemical Name	Methyl 3-hydroxy-4-nitrobenzoate
IUPAC Name	methyl 3-hydroxy-4-nitrobenzoate
InChI	InChI=1S/C8H7NO5/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,10H,1H3
InChI Key	UEGCRFNWTGYVKX-UHFFFAOYSA-N
MDL Number	MFCD00016997
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	163972
SMILES	C(=O)(OC)c1cc(O)c(cc1)N(=O)=O
Synonyms	methyl 3-hydroxy-4-nitrobenzoate, 713-52-0, 3-hydroxy-4-nitrobenzoic acid methyl ester, Benzoic acid, 3-hydroxy-4-nitro-, methyl ester, 3-hydroxy-4-nitro-benzoic acid methyl ester, methyl 3-hydroxy-4-nitro-benzoate, MFCD00016997, NSC163972, PubChem20121, ACMC-209oia, AC1L6MUM, KSC379E5N, SCHEMBL223930, AC1Q435L, AMBZ0097, 5-methoxycarbonyl-2-nitrophenol, methyl3-hydroxy-4-nitronemzoate, CHEMBL1984852, CTK2H9256, KS-00000MFU, DTXSID60304031, methyl-3-hydroxy-4-nitrobenzoate, methyl 3-hydroxyl-4-nitrobenzoate, UEGCRFNWTGYVKX-UHFFFAOYSA-N, AC1Q4335, ALBB-023571, ANW-36032, SBB002401, ZINC34779362, AKOS007930292, AC-9412, AM85883, CS-W008108, DS-1160, MCULE-6296677211, NSC-163972, RL04724, RTR-023484, AJ-90135, AK-47213, AN-47387, BR-47213, CJ-18568, NCI60_001247, SC-69965, SY023513, AB0031508, ST2413358, TR-023484, 3-hydroxy-4-nitro benzoic acid methyl ester, 3-hydroxy-4-nitro benzoic acid methyl-ester, 4CH-014673, FT-0628559, M2250, ST45026784, X4614, EN300-29830, MFCD00016997 (98%), A23768, B-5054, 713M520, AE-562/43460702, I01-8338, J-522174, Z359419658, C8H7NO5, CID294866, METHYL3-HYDROXY-4-NITROBENZOATE, 1-(Tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester, 903550-26-5,

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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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