Name: Name:4-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID
Brand: Angene
SKU: AG01EKET
Rating: 90 (10 reviews)

4-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID

CAS No.:

101004-97-1

Catalog Number:

AG01EKET

Molecular Formula:

C12H13NO3

Molecular Weight:

219.2365

Catalog Number:

AG01EKET

Chemical Name:

4-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID

CAS Number:

101004-97-1

Molecular Formula:

C12H13NO3

Molecular Weight:

219.2365

MDL Number:

MFCD07528335

IUPAC Name:

4-(3-oxo-1H-isoindol-2-yl)butanoic acid

InChI:

InChI=1S/C12H13NO3/c14-11(15)6-3-7-13-8-9-4-1-2-5-10(9)12(13)16/h1-2,4-5H,3,6-8H2,(H,14,15)

InChI Key:

VZHAWKBRFXIGPG-UHFFFAOYSA-N

SMILES:

OC(=O)CCCN1Cc2c(C1=O)cccc2

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.24g/mol

Monoisotopic Mass:

219.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9