AG003RVJ

99-42-3 | Methyl 4-hydroxy-3-nitrobenzoate

AG003RVJ

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CAS Number	99-42-3
Catalog Number	AG003RVJ(AGN-PC-0JL7FF)
Chemical Name	Methyl 4-hydroxy-3-nitrobenzoate
EC Number	202-755-3
IUPAC Name	methyl 4-hydroxy-3-nitrobenzoate
InChI	InChI=1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3
InChI Key	GNCWCTBHZCBXGL-UHFFFAOYSA-N
MDL Number	MFCD00014695
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	28667
SMILES	O=C(OC)C1=CC=C(O)C([N+]([O-])=O)=C1
Synonyms	Methyl 4-hydroxy-3-nitrobenzoate, 99-42-3, Methyl 3-nitro-4-hydroxybenzoate, 4-Hydroxy-3-nitrobenzoic acid methyl ester, Benzoic acid, 4-hydroxy-3-nitro-, methyl ester, Methyl 3-nitro-4-hydroxy toluate, EINECS 202-755-3, NSC 28667, BRN 2115197, C8H7NO5, AURORA 6897, GNCWCTBHZCBXGL-UHFFFAOYSA-N, 3-NITRO-4-HYDROXYBENZOIC ACID METHYL ESTER, MFCD00014695, METHYL-4-HYDROXY-3-NITROBENZOIC ACID, 3-nitro-4-hydroxymethylbenzoate, ACMC-209scn, 3-10-00-00378 (Beilstein Handbook Reference), SCHEMBL531728, AC1L269N, BEN341, 4-methoxycarbonyl-2-nitrophenol, RARECHEM AL BF 0172, DTXSID7059197, Methyl4-Hydroxy-3-nitrobenzoate, SCHEMBL16254547, CTK3J6008, TIMTEC-BB SBB000362, Methyl-4-hydroxy-3-nitrobenzoate, ALBB-023272, BCP21849, KS-00000BE8, NSC28667, ANW-41013, NSC-28667, SBB000362, STK149384, ZINC34914538, AKOS000121332, AS01330, MCULE-4975654710, RTR-030438, TRA0041517, 4-hydroxy-3-nitro-benzoicacimethylester, OTAVA-BB 7211740028, AC-25710, AJ-90294, LS-37647, SC-27637, ST018698, AB0000696, AB1008134, DB-080597, TR-030438, 3-Nitro-4-hydroxy-benzoic acid methyl ester, 4-hydroxy-3-nitro-benzoic acid methyl ester, FT-0600310, ST24025371, W9871, AZ0001-0351, EN300-18355, S-1034, I01-6560, W-100037, Not Available, Benzoic acid, methyl ester, methyl-4-hydroxy-3-nitrobenzoat, 4-(hydroxymethyl)-3-nitrobenzoate, C8-H7-N-O5, Methyl 3-nitro-4-hydroxy benzoate, CID66835, A11328, 254101-10-5,

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	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

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