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Home > Indoles and Oxindole > 1385696-09-2
1385696-09-2 | Octanoic acid 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl ester
CAS No: 1385696-09-2 Catalog No: AG00JRX1 MDL No:
Product Description
Catalog Number:
AG00JRX1
Chemical Name:
Octanoic acid 2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl ester
CAS Number:
1385696-09-2
Molecular Formula:
C18H23NO4
Molecular Weight:
317.3795
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)ethyl octanoate
InChI:
InChI=1S/C18H23NO4/c1-2-3-4-5-6-11-16(20)23-13-12-19-17(21)14-9-7-8-10-15(14)18(19)22/h7-10H,2-6,11-13H2,1H3
InChI Key:
DTBBCUKVGYPJPD-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.385g/mol
Monoisotopic Mass:
317.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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