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Home > Indoles and Oxindole > 83783-34-0
83783-34-0 | 3-acetyl-1H-indole-6-carbonitrile
CAS No: 83783-34-0 Catalog No: AG00J93O MDL No:MFCD09972001
Product Description
Catalog Number:
AG00J93O
Chemical Name:
3-acetyl-1H-indole-6-carbonitrile
CAS Number:
83783-34-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
MDL Number:
MFCD09972001
IUPAC Name:
3-acetyl-1H-indole-6-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-7(14)10-6-13-11-4-8(5-12)2-3-9(10)11/h2-4,6,13H,1H3
InChI Key:
GRGVUXDVCKDSCC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]cc2C(=O)C
Properties
Complexity:
291
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:
1
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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