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101650-77-5 | Dodecanoic acid, 12,12-dimethoxy-9-oxo-, methyl ester
CAS No: 101650-77-5 Catalog No: AG000519 MDL No:
Product Description
Catalog Number:
AG000519
Chemical Name:
Dodecanoic acid, 12,12-dimethoxy-9-oxo-, methyl ester
CAS Number:
101650-77-5
Molecular Formula:
C15H28O5
Molecular Weight:
288.3798
IUPAC Name:
methyl 12,12-dimethoxy-9-oxododecanoate
InChI:
InChI=1S/C15H28O5/c1-18-14(17)10-8-6-4-5-7-9-13(16)11-12-15(19-2)20-3/h15H,4-12H2,1-3H3
InChI Key:
BTRHOQVGEAKZCG-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCC(=O)CCC(OC)OC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.194g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.384g/mol
Monoisotopic Mass:
288.194g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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