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13256-15-0 | 1-Piperazinecarboxylic acid, 4-nitroso-, ethyl ester
CAS No: 13256-15-0 Catalog No: AG0010UA MDL No:
Product Description
Catalog Number:
AG0010UA
Chemical Name:
1-Piperazinecarboxylic acid, 4-nitroso-, ethyl ester
CAS Number:
13256-15-0
Molecular Formula:
C7H13N3O3
Molecular Weight:
187.1964
IUPAC Name:
ethyl 4-nitrosopiperazine-1-carboxylate
InChI:
InChI=1S/C7H13N3O3/c1-2-13-7(11)9-3-5-10(8-12)6-4-9/h2-6H2,1H3
InChI Key:
OYHRVILJSHWJAE-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)N=O
UNII:
D8K56V729T
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.199g/mol
Monoisotopic Mass:
187.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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