AG00DAG5

5344-97-8 | 3,5-Dimethyl-4-nitrophenol

AG00DAG5

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CAS Number	5344-97-8
Catalog Number	AG00DAG5(AGN-PC-0JMQ57)
Chemical Name	3,5-Dimethyl-4-nitrophenol
IUPAC Name	3,5-dimethyl-4-nitrophenol
InChI	InChI=1S/C8H9NO3/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,10H,1-2H3
InChI Key	MMLPWOHLKRXZJA-UHFFFAOYSA-N
MDL Number	MFCD00031365
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
NSC Number	2985
SMILES	OC1=CC(C)=C([N+]([O-])=O)C(C)=C1
Synonyms	3,5-DIMETHYL-4-NITROPHENOL, 5344-97-8, 3,5-Xylenol, 4-nitro-, 3,5-dimethyl-4-nitro-phenol, NSC2985, NSC 2985, AC1L3CV7, 3,5-Xylenol, 4-nitro-,, SCHEMBL487041, CTK1H2830, DTXSID50201606, MMLPWOHLKRXZJA-UHFFFAOYSA-N, KS-00000RO3, NSC-2985, CK1186, MFCD00031365, ZINC43732572, AKOS015995380, AS00237, DS-5516, AK136403, DA-05134, AB0034212, AJ-108741, 4CH-022341, CS-0061140, FT-0755546, ST24041252, X8326, W-2794, AE-562/43460091, C8H9NO3, CID138466,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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