Name: Name:1H-Indole-4,6-dicarboxylic acid, 4-ethyl ester
Brand: Angene
SKU: AG001UIJ
Rating: 90 (10 reviews)

1H-Indole-4,6-dicarboxylic acid, 4-ethyl ester

CAS No.:

1638772-15-2

Catalog Number:

AG001UIJ

Molecular Formula:

C12H10NO4-

Molecular Weight:

232.2121

Catalog Number:

AG001UIJ

Chemical Name:

1H-Indole-4,6-dicarboxylic acid, 4-ethyl ester

CAS Number:

1638772-15-2

Molecular Formula:

C12H10NO4-

Molecular Weight:

232.2121

IUPAC Name:

4-ethoxycarbonyl-1H-indole-6-carboxylic acid

InChI:

InChI=1S/C12H11NO4/c1-2-17-12(16)9-5-7(11(14)15)6-10-8(9)3-4-13-10/h3-6,13H,2H2,1H3,(H,14,15)

InChI Key:

OQSYZAVLPRNTNN-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cc(cc2c1cc[nH]2)C(=O)[O-]

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.223g/mol

Monoisotopic Mass:

233.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8