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Home > Nitro Compounds > 79448-05-8
79448-05-8 | dimethyl 4,4'-(nitrosoimino)dibutanoate
CAS No: 79448-05-8 Catalog No: AG0058LQ MDL No:
Product Description
Catalog Number:
AG0058LQ
Chemical Name:
dimethyl 4,4'-(nitrosoimino)dibutanoate
CAS Number:
79448-05-8
Molecular Formula:
C10H18N2O5
Molecular Weight:
246.2603
IUPAC Name:
methyl 4-[(4-methoxy-4-oxobutyl)-nitrosoamino]butanoate
InChI:
InChI=1S/C10H18N2O5/c1-16-9(13)5-3-7-12(11-15)8-4-6-10(14)17-2/h3-8H2,1-2H3
InChI Key:
OHHCUXISEYPOOF-UHFFFAOYSA-N
SMILES:
COC(=O)CCCN(N=O)CCCC(=O)OC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.263g/mol
Monoisotopic Mass:
246.122g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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