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Home > Nitro Compounds > 27508-87-8
27508-87-8 | Benzene, 1,5-dimethoxy-3-methyl-2-nitro-
CAS No: 27508-87-8 Catalog No: AG002TYP MDL No:MFCD05863400
Product Description
Catalog Number:
AG002TYP
Chemical Name:
Benzene, 1,5-dimethoxy-3-methyl-2-nitro-
CAS Number:
27508-87-8
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD05863400
IUPAC Name:
1,5-dimethoxy-3-methyl-2-nitrobenzene
InChI:
InChI=1S/C9H11NO4/c1-6-4-7(13-2)5-8(14-3)9(6)10(11)12/h4-5H,1-3H3
InChI Key:
GRNKAWLLLBFVTO-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1[N+](=O)[O-])C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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