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89457-37-4 | Dodecanoic acid, 3-hydroxybutyl ester
CAS No: 89457-37-4 Catalog No: AG0042FQ MDL No:
Product Description
Catalog Number:
AG0042FQ
Chemical Name:
Dodecanoic acid, 3-hydroxybutyl ester
CAS Number:
89457-37-4
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
3-hydroxybutyl dodecanoate
InChI:
InChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-16(18)19-14-13-15(2)17/h15,17H,3-14H2,1-2H3
InChI Key:
PHCYISGOPYDYGT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCCC(O)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.235g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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