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Home > Indoles and Oxindole > 1190319-54-0
1190319-54-0 | 1H-Indole-7-carbonitrile, 3-formyl-4-methyl-
CAS No: 1190319-54-0 Catalog No: AG000HVQ MDL No:
Product Description
Catalog Number:
AG000HVQ
Chemical Name:
1H-Indole-7-carbonitrile, 3-formyl-4-methyl-
CAS Number:
1190319-54-0
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
3-formyl-4-methyl-1H-indole-7-carbonitrile
InChI:
InChI=1S/C11H8N2O/c1-7-2-3-8(4-12)11-10(7)9(6-14)5-13-11/h2-3,5-6,13H,1H3
InChI Key:
DRNGSPNUOGIJCM-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C)ccc2C#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:
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:
1.6
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