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653597-25-2 | 3-Indolizineacetonitrile, 1-methyl-2-phenyl-
CAS No: 653597-25-2 Catalog No: AG006S22 MDL No:
Product Description
Catalog Number:
AG006S22
Chemical Name:
3-Indolizineacetonitrile, 1-methyl-2-phenyl-
CAS Number:
653597-25-2
Molecular Formula:
C17H14N2
Molecular Weight:
246.3065
IUPAC Name:
2-(1-methyl-2-phenylindolizin-3-yl)acetonitrile
InChI:
InChI=1S/C17H14N2/c1-13-15-9-5-6-12-19(15)16(10-11-18)17(13)14-7-3-2-4-8-14/h2-9,12H,10H2,1H3
InChI Key:
TXSBHZAAGSZYLB-UHFFFAOYSA-N
SMILES:
N#CCc1n2ccccc2c(c1c1ccccc1)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.313g/mol
Monoisotopic Mass:
246.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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