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14464-30-3

14464-30-3 | Octanoic acid, 2,5-dioxo-1-pyrrolidinyl ester

CAS No: 14464-30-3 Catalog No: AG001JWE MDL No:MFCD00050404

Product Description

Catalog Number:
AG001JWE
Chemical Name:
Octanoic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
14464-30-3
Molecular Formula:
C12H19NO4
Molecular Weight:
241.2836
MDL Number:
MFCD00050404
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) octanoate
InChI:
InChI=1S/C12H19NO4/c1-2-3-4-5-6-7-12(16)17-13-10(14)8-9-11(13)15/h2-9H2,1H3
InChI Key:
PEJVSXYBFAVPAQ-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)ON1C(=O)CCC1=O

Properties

Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.131g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.287g/mol
Monoisotopic Mass:
241.131g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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