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Home > Nitro Compounds > 16339-06-3
16339-06-3 | Proline, 1-nitroso-, ethyl ester
CAS No: 16339-06-3 Catalog No: AG001U2C MDL No:
Product Description
Catalog Number:
AG001U2C
Chemical Name:
Proline, 1-nitroso-, ethyl ester
CAS Number:
16339-06-3
Molecular Formula:
C7H12N2O3
Molecular Weight:
172.1818
IUPAC Name:
ethyl 1-nitrosopyrrolidine-2-carboxylate
InChI:
InChI=1S/C7H12N2O3/c1-2-12-7(10)6-4-3-5-9(6)8-11/h6H,2-5H2,1H3
InChI Key:
CPURSCKAPPWVBT-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CCCN1N=O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.184g/mol
Monoisotopic Mass:
172.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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