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Home > Indoles and Oxindole > 1385696-18-3
1385696-18-3 | Tetradecanoic acid 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl ester
CAS No: 1385696-18-3 Catalog No: AG00JRX2 MDL No:
Product Description
Catalog Number:
AG00JRX2
Chemical Name:
Tetradecanoic acid 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl ester
CAS Number:
1385696-18-3
Molecular Formula:
C24H35NO4
Molecular Weight:
401.5390
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)ethyl tetradecanoate
InChI:
InChI=1S/C24H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-22(26)29-19-18-25-23(27)20-15-13-14-16-21(20)24(25)28/h13-16H,2-12,17-19H2,1H3
InChI Key:
KSJQVSIBAUUQGC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)OCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.257g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.547g/mol
Monoisotopic Mass:
401.257g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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