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55278-10-9 |
CAS No: 55278-10-9 Catalog No: AG01FLW6 MDL No:
Product Description
Catalog Number:
AG01FLW6
CAS Number:
55278-10-9
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
IUPAC Name:
2-(1-methylpyrrolidin-3-yl)acetonitrile
InChI:
InChI=1S/C7H12N2/c1-9-5-3-7(6-9)2-4-8/h7H,2-3,5-6H2,1H3
InChI Key:
GYVCQZSSLIKUSZ-UHFFFAOYSA-N
SMILES:
N#CCC1CCN(C1)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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