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Home > Indoles and Oxindole > 6097-08-1
6097-08-1 | 2-(Hex-5-yn-1-yl)isoindoline-1,3-dione
CAS No: 6097-08-1 Catalog No: AG003SDO MDL No:MFCD00671372
Product Description
Catalog Number:
AG003SDO
Chemical Name:
2-(Hex-5-yn-1-yl)isoindoline-1,3-dione
CAS Number:
6097-08-1
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD00671372
IUPAC Name:
2-hex-5-ynylisoindole-1,3-dione
InChI:
InChI=1S/C14H13NO2/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17/h1,5-6,8-9H,3-4,7,10H2
InChI Key:
WALVSJIWVWDFCU-UHFFFAOYSA-N
SMILES:
C#CCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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