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Home > Indoles and Oxindole > 685891-12-7
685891-12-7 | 1-formyl-2-methylindolizine-3-carbonitrile
CAS No: 685891-12-7 Catalog No: AG019GSC MDL No:MFCD03960595
Product Description
Catalog Number:
AG019GSC
Chemical Name:
1-formyl-2-methylindolizine-3-carbonitrile
CAS Number:
685891-12-7
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD03960595
IUPAC Name:
1-formyl-2-methylindolizine-3-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-8-9(7-14)10-4-2-3-5-13(10)11(8)6-12/h2-5,7H,1H3
InChI Key:
GCDATXRCOUTHMK-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(n2c1cccc2)C#N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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