Name: Name:3-formyl-4,6-dimethoxy-1H-indole-2-carboxylic acid
Brand: Angene
SKU: AG01BXFH
Rating: 90 (10 reviews)

3-formyl-4,6-dimethoxy-1H-indole-2-carboxylic acid

CAS No.:

893729-94-7

Catalog Number:

AG01BXFH

Molecular Formula:

C12H11NO5

Molecular Weight:

249.2194

Catalog Number:

AG01BXFH

Chemical Name:

3-formyl-4,6-dimethoxy-1H-indole-2-carboxylic acid

CAS Number:

893729-94-7

Molecular Formula:

C12H11NO5

Molecular Weight:

249.2194

MDL Number:

MFCD07364529

IUPAC Name:

3-formyl-4,6-dimethoxy-1H-indole-2-carboxylic acid

InChI:

InChI=1S/C12H11NO5/c1-17-6-3-8-10(9(4-6)18-2)7(5-14)11(13-8)12(15)16/h3-5,13H,1-2H3,(H,15,16)

InChI Key:

GXOVWZNCYZWVNS-UHFFFAOYSA-N

SMILES:

COc1cc(OC)cc2c1c(C=O)c([nH]2)C(=O)O

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.222g/mol

Monoisotopic Mass:

249.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3