Name: Name:2-(4-Methylbenzoyl)-1H-indole-3-carboxylic acid
Brand: Angene
SKU: AG00JKWK
Rating: 90 (10 reviews)

2-(4-Methylbenzoyl)-1H-indole-3-carboxylic acid

CAS No.:

817172-38-6

Catalog Number:

AG00JKWK

Molecular Formula:

C17H13NO3

Molecular Weight:

279.2900

Catalog Number:

AG00JKWK

Chemical Name:

2-(4-Methylbenzoyl)-1H-indole-3-carboxylic acid

CAS Number:

817172-38-6

Molecular Formula:

C17H13NO3

Molecular Weight:

279.2900

MDL Number:

MFCD03788960

IUPAC Name:

2-(4-methylbenzoyl)-1H-indole-3-carboxylic acid

InChI:

InChI=1S/C17H13NO3/c1-10-6-8-11(9-7-10)16(19)15-14(17(20)21)12-4-2-3-5-13(12)18-15/h2-9,18H,1H3,(H,20,21)

InChI Key:

HRELBIXQISCCSH-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)C(=O)c1[nH]c2c(c1C(=O)O)cccc2

Complexity:

414

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.295g/mol

Monoisotopic Mass:

279.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6