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178433-27-7

178433-27-7 | Octadecanoic acid, 3-oxo-1-cyclohexen-1-yl ester

CAS No: 178433-27-7 Catalog No: AG00261I MDL No:

Product Description

Catalog Number:
AG00261I
Chemical Name:
Octadecanoic acid, 3-oxo-1-cyclohexen-1-yl ester
CAS Number:
178433-27-7
Molecular Formula:
C24H42O3
Molecular Weight:
378.5885
IUPAC Name:
(3-oxocyclohexen-1-yl) octadecanoate
InChI:
InChI=1S/C24H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(26)27-23-19-17-18-22(25)21-23/h21H,2-20H2,1H3
InChI Key:
HIUUGDASYQYKDO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=O)CCC1

Properties

Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.313g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.597g/mol
Monoisotopic Mass:
378.313g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8  

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