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102109-06-8 | 2H-Azirine-2-carboxylic acid, 2-cyano-3-(1-pyrrolidinyl)-, methyl ester
CAS No: 102109-06-8 Catalog No: AG0006MY MDL No:
Product Description
Catalog Number:
AG0006MY
Chemical Name:
2H-Azirine-2-carboxylic acid, 2-cyano-3-(1-pyrrolidinyl)-, methyl ester
CAS Number:
102109-06-8
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
IUPAC Name:
methyl 2-cyano-3-pyrrolidin-1-ylazirine-2-carboxylate
InChI:
InChI=1S/C9H11N3O2/c1-14-8(13)9(6-10)7(11-9)12-4-2-3-5-12/h2-5H2,1H3
InChI Key:
XNQUKOQARDNVDM-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C#N)N=C1N1CCCC1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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