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Home > Nitro Compounds > 88488-68-0
88488-68-0 | Heptane, 4-(diethoxymethyl)-5-methyl-1-nitro-
CAS No: 88488-68-0 Catalog No: AG0049R5 MDL No:
Product Description
Catalog Number:
AG0049R5
Chemical Name:
Heptane, 4-(diethoxymethyl)-5-methyl-1-nitro-
CAS Number:
88488-68-0
Molecular Formula:
C13H27NO4
Molecular Weight:
261.3578
IUPAC Name:
4-(diethoxymethyl)-5-methyl-1-nitroheptane
InChI:
InChI=1S/C13H27NO4/c1-5-11(4)12(9-8-10-14(15)16)13(17-6-2)18-7-3/h11-13H,5-10H2,1-4H3
InChI Key:
DQOIVQYLJYZBPI-UHFFFAOYSA-N
SMILES:
CCOC(C(C(CC)C)CCC[N+](=O)[O-])OCC
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.362g/mol
Monoisotopic Mass:
261.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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