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Home > Indoles and Oxindole > 1373137-75-7
1373137-75-7 | 1H-Indole-3-carbonitrile, 7-formyl-
CAS No: 1373137-75-7 Catalog No: AG001330 MDL No:
Product Description
Catalog Number:
AG001330
Chemical Name:
1H-Indole-3-carbonitrile, 7-formyl-
CAS Number:
1373137-75-7
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
IUPAC Name:
7-formyl-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-4-8-5-12-10-7(6-13)2-1-3-9(8)10/h1-3,5-6,12H
InChI Key:
IMEFJPFKGFXKJB-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1[nH]cc2C#N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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