Name: Name:1-(isoquinolin-1-yl)cyclopropane-1-carboxylic acid
Brand: Angene
SKU: AG01BXVB
Rating: 90 (10 reviews)

1-(isoquinolin-1-yl)cyclopropane-1-carboxylic acid

CAS No.:

1158917-75-9

Catalog Number:

AG01BXVB

Molecular Formula:

C13H11NO2

Molecular Weight:

213.2319

Catalog Number:

AG01BXVB

Chemical Name:

1-(isoquinolin-1-yl)cyclopropane-1-carboxylic acid

CAS Number:

1158917-75-9

Molecular Formula:

C13H11NO2

Molecular Weight:

213.2319

MDL Number:

MFCD28611672

IUPAC Name:

1-isoquinolin-1-ylcyclopropane-1-carboxylic acid

InChI:

InChI=1S/C13H11NO2/c15-12(16)13(6-7-13)11-10-4-2-1-3-9(10)5-8-14-11/h1-5,8H,6-7H2,(H,15,16)

InChI Key:

XVMSJPPUFPMJSP-UHFFFAOYSA-N

SMILES:

OC(=O)C1(CC1)c1nccc2c1cccc2

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.236g/mol

Monoisotopic Mass:

213.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9