Name: Name:1-benzyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
Brand: Angene
SKU: AG01AJMM
Rating: 90 (10 reviews)

1-benzyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid

CAS No.:

132105-71-6

Catalog Number:

AG01AJMM

Molecular Formula:

C18H17NO3

Molecular Weight:

295.3325

Catalog Number:

AG01AJMM

Chemical Name:

1-benzyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid

CAS Number:

132105-71-6

Molecular Formula:

C18H17NO3

Molecular Weight:

295.3325

MDL Number:

MFCD00409375

IUPAC Name:

1-benzyl-5-methoxy-2-methylindole-3-carboxylic acid

InChI:

InChI=1S/C18H17NO3/c1-12-17(18(20)21)15-10-14(22-2)8-9-16(15)19(12)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)

InChI Key:

UDXINIVAVPGBJW-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)c(C(=O)O)c(n2Cc1ccccc1)C

Complexity:

394

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.338g/mol

Monoisotopic Mass:

295.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5