Home Carboxys 3-Pyrrolidinecarboxylicacid,1-cyano-,methylester(9CI)

3-Pyrrolidinecarboxylicacid,1-cyano-,methylester(9CI)

CAS No.:
367906-55-6
Catalog Number:
AG00D5EA
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
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Product Description
Catalog Number:
AG00D5EA
Chemical Name:
3-Pyrrolidinecarboxylicacid,1-cyano-,methylester(9CI)
CAS Number:
367906-55-6
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD26839038
IUPAC Name:
methyl 1-cyanopyrrolidine-3-carboxylate
InChI:
InChI=1S/C7H10N2O2/c1-11-7(10)6-2-3-9(4-6)5-8/h6H,2-4H2,1H3
InChI Key:
OICJQZQATQMRGR-UHFFFAOYSA-N
SMILES:
N#CN1CCC(C1)C(=O)OC
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties