Name: Name:1H-Indole-1-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000TPI
Rating: 90 (10 reviews)

1H-Indole-1-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester

CAS No.:

129822-49-7

Catalog Number:

AG000TPI

Molecular Formula:

C14H17NO2

Molecular Weight:

231.2903

Catalog Number:

AG000TPI

Chemical Name:

1H-Indole-1-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester

CAS Number:

129822-49-7

Molecular Formula:

C14H17NO2

Molecular Weight:

231.2903

MDL Number:

MFCD06008299

IUPAC Name:

tert-butyl 5-methylindole-1-carboxylate

InChI:

InChI=1S/C14H17NO2/c1-10-5-6-12-11(9-10)7-8-15(12)13(16)17-14(2,3)4/h5-9H,1-4H3

InChI Key:

NSPCCUXHOQOAJQ-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)ccn2C(=O)OC(C)(C)C

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.295g/mol

Monoisotopic Mass:

231.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6