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80054-63-3 | 10-HYDROXYDECYL BUTYRATE
CAS No: 80054-63-3 Catalog No: AG0055A7 MDL No:
Product Description
Catalog Number:
AG0055A7
Chemical Name:
10-HYDROXYDECYL BUTYRATE
CAS Number:
80054-63-3
Molecular Formula:
C14H28O3
Molecular Weight:
244.3703
IUPAC Name:
10-hydroxydecyl butanoate
InChI:
InChI=1S/C14H28O3/c1-2-11-14(16)17-13-10-8-6-4-3-5-7-9-12-15/h15H,2-13H2,1H3
InChI Key:
KKIBZIXNDVWPDF-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCOC(=O)CCC
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.204g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.375g/mol
Monoisotopic Mass:
244.204g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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