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14811-73-5 | Decanoic acid, 10-oxo-, methyl ester
CAS No: 14811-73-5 Catalog No: AG001FG2 MDL No:MFCD06252531
Product Description
Catalog Number:
AG001FG2
Chemical Name:
Decanoic acid, 10-oxo-, methyl ester
CAS Number:
14811-73-5
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
MDL Number:
MFCD06252531
IUPAC Name:
methyl 10-oxodecanoate
InChI:
InChI=1S/C11H20O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h10H,2-9H2,1H3
InChI Key:
LVPNLDGNIRVDRF-UHFFFAOYSA-N
SMILES:
O=CCCCCCCCCC(=O)OC
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis of 1-octacosanol and GC-C-IRMS discrimination of samples from different origin. | Natural product research 20100301 |
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