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1227267-07-3 | 1H-Indole-6-carboxylic acid, 5-cyano-, methyl ester
CAS No: 1227267-07-3 Catalog No: AG000J1Y MDL No:
Product Description
Catalog Number:
AG000J1Y
Chemical Name:
1H-Indole-6-carboxylic acid, 5-cyano-, methyl ester
CAS Number:
1227267-07-3
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
methyl 5-cyano-1H-indole-6-carboxylate
InChI:
InChI=1S/C11H8N2O2/c1-15-11(14)9-5-10-7(2-3-13-10)4-8(9)6-12/h2-5,13H,1H3
InChI Key:
SJSXUVJIRVXRNT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ccc2cc1C#N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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