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Home > Nitro Compounds > 88488-66-8
88488-66-8 | 2-Heptanol, 4-(diethoxymethyl)-5-methyl-1-nitro-
CAS No: 88488-66-8 Catalog No: AG004A08 MDL No:
Product Description
Catalog Number:
AG004A08
Chemical Name:
2-Heptanol, 4-(diethoxymethyl)-5-methyl-1-nitro-
CAS Number:
88488-66-8
Molecular Formula:
C13H27NO5
Molecular Weight:
277.3572
IUPAC Name:
4-(diethoxymethyl)-5-methyl-1-nitroheptan-2-ol
InChI:
InChI=1S/C13H27NO5/c1-5-10(4)12(8-11(15)9-14(16)17)13(18-6-2)19-7-3/h10-13,15H,5-9H2,1-4H3
InChI Key:
MQMNUVNALZRZFI-UHFFFAOYSA-N
SMILES:
CCOC(C(C(CC)C)CC(C[N+](=O)[O-])O)OCC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.361g/mol
Monoisotopic Mass:
277.189g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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