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117046-34-1

117046-34-1 | Tetradecanoic acid, (1R)-1-methylheptyl ester

CAS No: 117046-34-1 Catalog No: AG000DMT MDL No:

Product Description

Catalog Number:
AG000DMT
Chemical Name:
Tetradecanoic acid, (1R)-1-methylheptyl ester
CAS Number:
117046-34-1
Molecular Formula:
C22H44O2
Molecular Weight:
340.5836
IUPAC Name:
octan-2-yl tetradecanoate
InChI:
InChI=1S/C22H44O2/c1-4-6-8-10-11-12-13-14-15-16-18-20-22(23)24-21(3)19-17-9-7-5-2/h21H,4-20H2,1-3H3
InChI Key:
LKKNEKWLXFNDDM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)O[C@@H](CCCCCC)C

Properties

Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.334g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.592g/mol
Monoisotopic Mass:
340.334g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7  

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