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100495-94-1 | Tetradecanoic acid, 2-hydroxy-, butyl ester
CAS No: 100495-94-1 Catalog No: AG000250 MDL No:
Product Description
Catalog Number:
AG000250
Chemical Name:
Tetradecanoic acid, 2-hydroxy-, butyl ester
CAS Number:
100495-94-1
Molecular Formula:
C18H36O3
Molecular Weight:
300.4766
IUPAC Name:
butyl 2-hydroxytetradecanoate
InChI:
InChI=1S/C18H36O3/c1-3-5-7-8-9-10-11-12-13-14-15-17(19)18(20)21-16-6-4-2/h17,19H,3-16H2,1-2H3
InChI Key:
MLLXWWWXPKOKAH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(C(=O)OCCCC)O
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:
6.9
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