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Home > Nitro Compounds > 136763-93-4
136763-93-4 | Phenol, 2,4-dimethoxy-3-methyl-5-nitro-
CAS No: 136763-93-4 Catalog No: AG0012BB MDL No:
Product Description
Catalog Number:
AG0012BB
Chemical Name:
Phenol, 2,4-dimethoxy-3-methyl-5-nitro-
CAS Number:
136763-93-4
Molecular Formula:
C9H11NO5
Molecular Weight:
213.1873
IUPAC Name:
2,4-dimethoxy-3-methyl-5-nitrophenol
InChI:
InChI=1S/C9H11NO5/c1-5-8(14-2)6(10(12)13)4-7(11)9(5)15-3/h4,11H,1-3H3
InChI Key:
JWBFELMAKOXMJL-UHFFFAOYSA-N
SMILES:
COc1c(cc(c(c1C)OC)O)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.189g/mol
Monoisotopic Mass:
213.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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