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151271-75-9 | Dodecanoic acid, 12-oxo-, ethyl ester
CAS No: 151271-75-9 Catalog No: AG001N7Z MDL No:
Product Description
Catalog Number:
AG001N7Z
Chemical Name:
Dodecanoic acid, 12-oxo-, ethyl ester
CAS Number:
151271-75-9
Molecular Formula:
C14H26O3
Molecular Weight:
242.3544
IUPAC Name:
ethyl 12-oxododecanoate
InChI:
InChI=1S/C14H26O3/c1-2-17-14(16)12-10-8-6-4-3-5-7-9-11-13-15/h13H,2-12H2,1H3
InChI Key:
WVLXAAYOSTYIMM-UHFFFAOYSA-N
SMILES:
O=CCCCCCCCCCCC(=O)OCC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.188g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.359g/mol
Monoisotopic Mass:
242.188g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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