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Home > Indoles and Oxindole > 4403-42-3
4403-42-3 | 2H-Isoindole-2-undecanoic acid, 1,3-dihydro-1,3-dioxo-
CAS No: 4403-42-3 Catalog No: AG0072L9 MDL No:MFCD03425070
Product Description
Catalog Number:
AG0072L9
Chemical Name:
2H-Isoindole-2-undecanoic acid, 1,3-dihydro-1,3-dioxo-
CAS Number:
4403-42-3
Molecular Formula:
C19H25NO4
Molecular Weight:
331.4061
MDL Number:
MFCD03425070
IUPAC Name:
11-(1,3-dioxoisoindol-2-yl)undecanoic acid
InChI:
InChI=1S/C19H25NO4/c21-17(22)13-7-5-3-1-2-4-6-10-14-20-18(23)15-11-8-9-12-16(15)19(20)24/h8-9,11-12H,1-7,10,13-14H2,(H,21,22)
InChI Key:
KKNSERPTIKUDGJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.412g/mol
Monoisotopic Mass:
331.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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