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87698-85-9 | Benzeneacetonitrile, 2-(1-pyrrolidinyl)-
CAS No: 87698-85-9 Catalog No: AG004GLF MDL No:
Product Description
Catalog Number:
AG004GLF
Chemical Name:
Benzeneacetonitrile, 2-(1-pyrrolidinyl)-
CAS Number:
87698-85-9
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
2-(2-pyrrolidin-1-ylphenyl)acetonitrile
InChI:
InChI=1S/C12H14N2/c13-8-7-11-5-1-2-6-12(11)14-9-3-4-10-14/h1-2,5-6H,3-4,7,9-10H2
InChI Key:
CHTLLQMJSALBLK-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1N1CCCC1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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