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Home > Indoles and Oxindole > 7223-50-9
7223-50-9 | 2-(Prop-2-yn-1-yl)isoindoline-1,3-dione
CAS No: 7223-50-9 Catalog No: AG0068QY MDL No:MFCD00065028
Product Description
Catalog Number:
AG0068QY
Chemical Name:
2-(Prop-2-yn-1-yl)isoindoline-1,3-dione
CAS Number:
7223-50-9
Molecular Formula:
C11H7NO2
Molecular Weight:
185.1788
MDL Number:
MFCD00065028
IUPAC Name:
2-prop-2-ynylisoindole-1,3-dione
InChI:
InChI=1S/C11H7NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2
InChI Key:
PAZCLCHJOWLTGA-UHFFFAOYSA-N
SMILES:
C#CCN1C(=O)c2c(C1=O)cccc2
EC Number:
230-621-4
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.182g/mol
Monoisotopic Mass:
185.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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