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87887-26-1 | 8-Decenoic acid, 2-acetyl-2-chloro-9-methyl-5-methylene-, methyl ester
CAS No: 87887-26-1 Catalog No: AG004IJS MDL No:
Product Description
Catalog Number:
AG004IJS
Chemical Name:
8-Decenoic acid, 2-acetyl-2-chloro-9-methyl-5-methylene-, methyl ester
CAS Number:
87887-26-1
Molecular Formula:
C15H23ClO3
Molecular Weight:
286.7943
IUPAC Name:
methyl 2-acetyl-2-chloro-9-methyl-5-methylidenedec-8-enoate
InChI:
InChI=1S/C15H23ClO3/c1-11(2)7-6-8-12(3)9-10-15(16,13(4)17)14(18)19-5/h7H,3,6,8-10H2,1-2,4-5H3
InChI Key:
OFHOLQMYZYVNFB-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)C)(CCC(=C)CCC=C(C)C)Cl
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.796g/mol
Monoisotopic Mass:
286.134g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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