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183613-15-2 | Dodecanoic acid, 3-hydroxy-, ethyl ester
CAS No: 183613-15-2 Catalog No: AG0027QR MDL No:
Product Description
Catalog Number:
AG0027QR
Chemical Name:
Dodecanoic acid, 3-hydroxy-, ethyl ester
CAS Number:
183613-15-2
Molecular Formula:
C14H28O3
Molecular Weight:
244.3703
IUPAC Name:
ethyl 3-hydroxydodecanoate
InChI:
InChI=1S/C14H28O3/c1-3-5-6-7-8-9-10-11-13(15)12-14(16)17-4-2/h13,15H,3-12H2,1-2H3
InChI Key:
CQLRIUYMQWJYSR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(CC(=O)OCC)O
Properties
Complexity:
180
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:
12
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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