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1153950-49-2 | 3-Pyrrolidinecarbonitrile, hydrochloride (1:1), (3S)-
CAS No: 1153950-49-2 Catalog No: AG000FWN MDL No:MFCD11656840
Product Description
Catalog Number:
AG000FWN
Chemical Name:
3-Pyrrolidinecarbonitrile, hydrochloride (1:1), (3S)-
CAS Number:
1153950-49-2
Molecular Formula:
C5H9ClN2
Molecular Weight:
132.5914
MDL Number:
MFCD11656840
IUPAC Name:
(3S)-pyrrolidine-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C5H8N2.ClH/c6-3-5-1-2-7-4-5;/h5,7H,1-2,4H2;1H/t5-;/m1./s1
InChI Key:
LMBZZTJQNYGICT-NUBCRITNSA-N
SMILES:
N#C[C@@H]1CNCC1.Cl
Properties
Complexity:
99.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
132.045g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.591g/mol
Monoisotopic Mass:
132.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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