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Home > Indoles and Oxindole > 14396-90-8
14396-90-8 | 1H-Isoindole-1,3(2H)-dione, 2-(3-butyn-1-yl)-
CAS No: 14396-90-8 Catalog No: AG001INV MDL No:MFCD03695464
Product Description
Catalog Number:
AG001INV
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-butyn-1-yl)-
CAS Number:
14396-90-8
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD03695464
IUPAC Name:
2-but-3-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/h1,4-7H,3,8H2
InChI Key:
YIMNQWSIQLKYOZ-UHFFFAOYSA-N
SMILES:
C#CCCN1C(=O)c2c(C1=O)cccc2
EC Number:
604-387-2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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