200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1000576-51-1
1000576-51-1 | 1H-Indole-6-carboxylic acid, 3-cyano-, methyl ester
CAS No: 1000576-51-1 Catalog No: AG0000R1 MDL No:MFCD09878564
Product Description
Catalog Number:
AG0000R1
Chemical Name:
1H-Indole-6-carboxylic acid, 3-cyano-, methyl ester
CAS Number:
1000576-51-1
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD09878564
IUPAC Name:
methyl 3-cyano-1H-indole-6-carboxylate
InChI:
InChI=1S/C11H8N2O2/c1-15-11(14)7-2-3-9-8(5-12)6-13-10(9)4-7/h2-4,6,13H,1H3
InChI Key:
YBZVEPCMUWGFNW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]cc2C#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:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.