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Home > Indoles and Oxindole > 76029-42-0
76029-42-0 | 1H-Isoindole-1,3(2H)-dione, 2-(2-cyclohexen-1-yloxy)-
CAS No: 76029-42-0 Catalog No: AG005GID MDL No:
Product Description
Catalog Number:
AG005GID
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2-cyclohexen-1-yloxy)-
CAS Number:
76029-42-0
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
2-cyclohex-2-en-1-yloxyisoindole-1,3-dione
InChI:
InChI=1S/C14H13NO3/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h2,4-6,8-10H,1,3,7H2
InChI Key:
QXFTXVXMRKJENL-UHFFFAOYSA-N
SMILES:
O=C1N(OC2CCCC=C2)C(=O)c2c1cccc2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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