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Home > Indoles and Oxindole > 4443-26-9
4443-26-9 | 2H-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-
CAS No: 4443-26-9 Catalog No: AG00I8FD MDL No:MFCD00233499
Product Description
Catalog Number:
AG00I8FD
Chemical Name:
2H-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-
CAS Number:
4443-26-9
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD00233499
IUPAC Name:
6-(1,3-dioxoisoindol-2-yl)hexanoic acid
InChI:
InChI=1S/C14H15NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h3-4,6-7H,1-2,5,8-9H2,(H,16,17)
InChI Key:
QJDSLDWVMCWWCO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2
EC Number:
224-675-8
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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