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14227-95-3

14227-95-3 | 1-Pyrrolidinepropanenitrile, β-oxo-

CAS No: 14227-95-3 Catalog No: AG001I3A MDL No:MFCD00020838

Product Description

Catalog Number:
AG001I3A
Chemical Name:
1-Pyrrolidinepropanenitrile, β-oxo-
CAS Number:
14227-95-3
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD00020838
IUPAC Name:
3-oxo-3-pyrrolidin-1-ylpropanenitrile
InChI:
InChI=1S/C7H10N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-3,5-6H2
InChI Key:
VEUDVNNBYYRZBV-UHFFFAOYSA-N
SMILES:
N#CCC(=O)N1CCCC1
EC Number:
238-096-3
NSC Number:
102766

Properties

Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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