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89186-14-1 | 5-Decenoic acid, 10-oxo-, methyl ester
CAS No: 89186-14-1 Catalog No: AG003VQL MDL No:
Product Description
Catalog Number:
AG003VQL
Chemical Name:
5-Decenoic acid, 10-oxo-, methyl ester
CAS Number:
89186-14-1
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
methyl 10-oxodec-5-enoate
InChI:
InChI=1S/C11H18O3/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-3,10H,4-9H2,1H3
InChI Key:
NGSWXMWCVAIJDF-UHFFFAOYSA-N
SMILES:
O=CCCCC=CCCCC(=O)OC
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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