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Home > Indoles and Oxindole > 1154-46-7
1154-46-7 | 2H-Isoindole-2-heptanoic acid, 1,3-dihydro-1,3-dioxo-
CAS No: 1154-46-7 Catalog No: AG000FXT MDL No:MFCD02855713
Product Description
Catalog Number:
AG000FXT
Chemical Name:
2H-Isoindole-2-heptanoic acid, 1,3-dihydro-1,3-dioxo-
CAS Number:
1154-46-7
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD02855713
IUPAC Name:
7-(1,3-dioxoisoindol-2-yl)heptanoic acid
InChI:
InChI=1S/C15H17NO4/c17-13(18)9-3-1-2-6-10-16-14(19)11-7-4-5-8-12(11)15(16)20/h4-5,7-8H,1-3,6,9-10H2,(H,17,18)
InChI Key:
KIPFPUCUWBTAQK-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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