Name: Name:1H-Isoindole-1,3(2H)-dione, 2-(2-butyn-1-yl)-
Brand: Angene
SKU: AG0008LF
Rating: 90 (10 reviews)

1H-Isoindole-1,3(2H)-dione, 2-(2-butyn-1-yl)-

CAS No.:

113439-83-1

Catalog Number:

AG0008LF

Molecular Formula:

C12H9NO2

Molecular Weight:

199.2054

Catalog Number:

AG0008LF

Chemical Name:

1H-Isoindole-1,3(2H)-dione, 2-(2-butyn-1-yl)-

CAS Number:

113439-83-1

Molecular Formula:

C12H9NO2

Molecular Weight:

199.2054

MDL Number:

MFCD00160830

IUPAC Name:

2-but-2-ynylisoindole-1,3-dione

InChI:

InChI=1S/C12H9NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,8H2,1H3

InChI Key:

COPWPECHFWIYSP-UHFFFAOYSA-N

SMILES:

CC#CCN1C(=O)c2c(C1=O)cccc2

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.209g/mol

Monoisotopic Mass:

199.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9