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Home > Indoles and Oxindole > 113211-26-0
113211-26-0 | 1H-Isoindole-1,3(2H)-dione, 2-(2-butynyloxy)-
CAS No: 113211-26-0 Catalog No: AG007AP6 MDL No:
Product Description
Catalog Number:
AG007AP6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-butynyloxy)-
CAS Number:
113211-26-0
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
2-but-2-ynoxyisoindole-1,3-dione
InChI:
InChI=1S/C12H9NO3/c1-2-3-8-16-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,8H2,1H3
InChI Key:
NBMZEQNEQURGME-UHFFFAOYSA-N
SMILES:
CC#CCON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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