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82807-36-1 | 12-HYDROXYSTEARIC ACID ETHYL ESTER
CAS No: 82807-36-1 Catalog No: AG0056B1 MDL No:
Product Description
Catalog Number:
AG0056B1
Chemical Name:
12-HYDROXYSTEARIC ACID ETHYL ESTER
CAS Number:
82807-36-1
Molecular Formula:
C20H40O3
Molecular Weight:
328.5298
IUPAC Name:
ethyl 12-hydroxyoctadecanoate
InChI:
InChI=1S/C20H40O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h19,21H,3-18H2,1-2H3
InChI Key:
FAUQJFRSOKONGU-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCCCCCCCCC(=O)OCC)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.298g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.537g/mol
Monoisotopic Mass:
328.298g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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