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89457-39-6 | Tetradecanoic acid, 3-hydroxybutyl ester
CAS No: 89457-39-6 Catalog No: AG00443A MDL No:
Product Description
Catalog Number:
AG00443A
Chemical Name:
Tetradecanoic acid, 3-hydroxybutyl ester
CAS Number:
89457-39-6
Molecular Formula:
C18H36O3
Molecular Weight:
300.4766
IUPAC Name:
3-hydroxybutyl tetradecanoate
InChI:
InChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(20)21-16-15-17(2)19/h17,19H,3-16H2,1-2H3
InChI Key:
QZVFXQJPKMPIJY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)OCCC(O)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.266g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.483g/mol
Monoisotopic Mass:
300.266g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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