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14427-53-3 | Hexadecanoic acid, 3-oxo-, methyl ester
CAS No: 14427-53-3 Catalog No: AG001J7T MDL No:
Product Description
Catalog Number:
AG001J7T
Chemical Name:
Hexadecanoic acid, 3-oxo-, methyl ester
CAS Number:
14427-53-3
Molecular Formula:
C17H32O3
Molecular Weight:
284.4342
IUPAC Name:
methyl 3-oxohexadecanoate
InChI:
InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h3-15H2,1-2H3
InChI Key:
OEEDRMFBAHHVQI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)CC(=O)OC
EC Number:
238-399-0
NSC Number:
157678
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.235g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.44g/mol
Monoisotopic Mass:
284.235g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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