AG002268

180628-74-4 | Benzenemethanol, 3-hydroxy-5-nitro-

AG002268

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CAS Number	180628-74-4
Catalog Number	AG002268(AGN-PC-00OPY8)
Chemical Name	Benzenemethanol, 3-hydroxy-5-nitro-
IUPAC Name	3-(hydroxymethyl)-5-nitrophenol
InChI	InChI=1S/C7H7NO4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3,9-10H,4H2
InChI Key	YMZVBCSTUGYGBQ-UHFFFAOYSA-N
MDL Number	MFCD11870181
Molecular Formula	C7H7NO4
Molecular Weight	169.1348
SMILES	OC1=CC([N+]([O-])=O)=CC(CO)=C1
Synonyms	3-(Hydroxymethyl)-5-nitrophenol, 180628-74-4, Benzenemethanol, 3-hydroxy-5-nitro-, AK-47028, SCHEMBL11025268, DTXSID40570979, 9472AA, MFCD11870181, ZINC95093402, FCH1138391, DS-14189, SC-65654, AJ-132492, AX8257069, C7H7NO4,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.136g/mol
Monoisotopic Mass	169.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	86.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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