Name: Name:1-(3-cyanopropyl)-1H-indole-3-carboxylic acid
Brand: Angene
SKU: AG01BE5A
Rating: 90 (10 reviews)

1-(3-cyanopropyl)-1H-indole-3-carboxylic acid

CAS No.:

1020984-72-8

Catalog Number:

AG01BE5A

Molecular Formula:

C13H12N2O2

Molecular Weight:

228.2466

Catalog Number:

AG01BE5A

Chemical Name:

1-(3-cyanopropyl)-1H-indole-3-carboxylic acid

CAS Number:

1020984-72-8

Molecular Formula:

C13H12N2O2

Molecular Weight:

228.2466

MDL Number:

MFCD11155410

IUPAC Name:

1-(3-cyanopropyl)indole-3-carboxylic acid

InChI:

InChI=1S/C13H12N2O2/c14-7-3-4-8-15-9-11(13(16)17)10-5-1-2-6-12(10)15/h1-2,5-6,9H,3-4,8H2,(H,16,17)

InChI Key:

NSKZKRXGLNIUOX-UHFFFAOYSA-N

SMILES:

N#CCCCn1cc(c2c1cccc2)C(=O)O

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.251g/mol

Monoisotopic Mass:

228.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5