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71801-88-2 | Tetradecenoic acid, tetradecyl ester
CAS No: 71801-88-2 Catalog No: AG005FGS MDL No:
Product Description
Catalog Number:
AG005FGS
Chemical Name:
Tetradecenoic acid, tetradecyl ester
CAS Number:
71801-88-2
Molecular Formula:
C28H54O2
Molecular Weight:
422.7272
IUPAC Name:
tetradecyl tetradec-2-enoate
InChI:
InChI=1S/C28H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h24,26H,3-23,25,27H2,1-2H3
InChI Key:
YVTOLJVMIWTRRN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)C=CCCCCCCCCCCC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.412g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.738g/mol
Monoisotopic Mass:
422.412g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
12.9
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