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Home > Indoles and Oxindole > 4616-63-1
4616-63-1 | 2-(Prop-2-yn-1-yloxy)isoindoline-1,3-dione
CAS No: 4616-63-1 Catalog No: AG003SF6 MDL No:MFCD00005890
Product Description
Catalog Number:
AG003SF6
Chemical Name:
2-(Prop-2-yn-1-yloxy)isoindoline-1,3-dione
CAS Number:
4616-63-1
Molecular Formula:
C11H7NO3
Molecular Weight:
201.1782
MDL Number:
MFCD00005890
IUPAC Name:
2-prop-2-ynoxyisoindole-1,3-dione
InChI:
InChI=1S/C11H7NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6H,7H2
InChI Key:
HBGZBVPXPDNXOV-UHFFFAOYSA-N
SMILES:
C#CCON1C(=O)c2c(C1=O)cccc2
EC Number:
225-024-0
NSC Number:
80674
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.181g/mol
Monoisotopic Mass:
201.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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