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Home > Indoles and Oxindole > 71510-42-4
71510-42-4 | 2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 71510-42-4 Catalog No: AG01AURG MDL No:MFCD29041183
Product Description
Catalog Number:
AG01AURG
Chemical Name:
2-(6-oxoheptyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
71510-42-4
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD29041183
IUPAC Name:
2-(6-oxoheptyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H17NO3/c1-11(17)7-3-2-6-10-16-14(18)12-8-4-5-9-13(12)15(16)19/h4-5,8-9H,2-3,6-7,10H2,1H3
InChI Key:
IIZCUXFEKAXMAG-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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