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Home > Indoles and Oxindole > 685891-09-2
685891-09-2 | 3-(1-FORMYL-2-METHYL-INDOLIZIN-3-YL)-PROPIONITRILE
CAS No: 685891-09-2 Catalog No: AG019GSD MDL No:MFCD03952814
Product Description
Catalog Number:
AG019GSD
Chemical Name:
3-(1-FORMYL-2-METHYL-INDOLIZIN-3-YL)-PROPIONITRILE
CAS Number:
685891-09-2
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD03952814
IUPAC Name:
3-(1-formyl-2-methylindolizin-3-yl)propanenitrile
InChI:
InChI=1S/C13H12N2O/c1-10-11(9-16)13-5-2-3-8-15(13)12(10)6-4-7-14/h2-3,5,8-9H,4,6H2,1H3
InChI Key:
DKTHVRWRUQESHK-UHFFFAOYSA-N
SMILES:
N#CCCc1c(C)c(c2n1cccc2)C=O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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