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6976-38-1 | diethyl 3,3'-(nitrosoimino)dipropanoate
CAS No: 6976-38-1 Catalog No: AG005I0P MDL No:
Product Description
Catalog Number:
AG005I0P
Chemical Name:
diethyl 3,3'-(nitrosoimino)dipropanoate
CAS Number:
6976-38-1
Molecular Formula:
C10H18N2O5
Molecular Weight:
246.2603
IUPAC Name:
ethyl 3-[(3-ethoxy-3-oxopropyl)-nitrosoamino]propanoate
InChI:
InChI=1S/C10H18N2O5/c1-3-16-9(13)5-7-12(11-15)8-6-10(14)17-4-2/h3-8H2,1-2H3
InChI Key:
FYKNBBJIVXDACD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCN(N=O)CCC(=O)OCC
NSC Number:
24869
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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