AG005D6F

82379-38-2 | 4-HYDROXYMETHYL-3-NITROBENZOIC ACID

AG005D6F

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CAS Number	82379-38-2
Catalog Number	AG005D6F(AGN-PC-0K63TL)
Chemical Name	4-HYDROXYMETHYL-3-NITROBENZOIC ACID
IUPAC Name	4-(hydroxymethyl)-3-nitrobenzoic acid
InChI	InChI=1S/C8H7NO5/c10-4-6-2-1-5(8(11)12)3-7(6)9(13)14/h1-3,10H,4H2,(H,11,12)
InChI Key	KUOYLJCVVIDGBZ-UHFFFAOYSA-N
MDL Number	MFCD01076314
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
SMILES	O=C(O)C1=CC=C(CO)C([N+]([O-])=O)=C1
Synonyms	4-(hydroxymethyl)-3-nitrobenzoic acid, 82379-38-2, 4-Hydroxymethyl-3-nitrobenzoic acid, AK140619, Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 4-HYDROXYMETHYL-3-NITRO-BENZOIC ACID, AC1LT3PI, SCHEMBL1483517, CHEMBL1834880, CTK3E0245, DTXSID30363554, KUOYLJCVVIDGBZ-UHFFFAOYSA-N, KS-00000O5G, ZINC4202316, FCH920749, MFCD01076314, AKOS006346216, DS-7073, AJ-48364, BC202835, DA-03096, AX8097938, AM20041205, FT-0701419, ST24043095, H18200, CID1501892, 4-(hydroxymethyl)-3-nitro-benzoic Acid,

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	2
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number