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22348-97-6 | Methyl 3-Oxotetradecanoate
CAS No: 22348-97-6 Catalog No: AG003A3A MDL No:MFCD00673474
Product Description
Catalog Number:
AG003A3A
Chemical Name:
Methyl 3-Oxotetradecanoate
CAS Number:
22348-97-6
Molecular Formula:
C15H28O3
Molecular Weight:
256.3810
MDL Number:
MFCD00673474
IUPAC Name:
methyl 3-oxotetradecanoate
InChI:
InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h3-13H2,1-2H3
InChI Key:
DTBSXIIDKUOHEN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)CC(=O)OC
EC Number:
244-929-1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.204g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.386g/mol
Monoisotopic Mass:
256.204g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Enzymatic functions of wild tomato methylketone synthases 1 and 2. | Plant physiology 20100901 |
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