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Home > Nitro Compounds > 85757-62-6
85757-62-6 | Benzene, (1,3-dimethoxy-2-nitropropyl)-
CAS No: 85757-62-6 Catalog No: AG004Y80 MDL No:
Product Description
Catalog Number:
AG004Y80
Chemical Name:
Benzene, (1,3-dimethoxy-2-nitropropyl)-
CAS Number:
85757-62-6
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
(1,3-dimethoxy-2-nitropropyl)benzene
InChI:
InChI=1S/C11H15NO4/c1-15-8-10(12(13)14)11(16-2)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
InChI Key:
CFUMMQFSUBNULB-UHFFFAOYSA-N
SMILES:
COC(C([N+](=O)[O-])COC)c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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