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87887-28-3 | 8-Decenoic acid, 2-acetyl-2-chloro-9-methyl-5-methylene-, ethyl ester
CAS No: 87887-28-3 Catalog No: AG008CF4 MDL No:
Product Description
Catalog Number:
AG008CF4
Chemical Name:
8-Decenoic acid, 2-acetyl-2-chloro-9-methyl-5-methylene-, ethyl ester
CAS Number:
87887-28-3
Molecular Formula:
C16H25ClO3
Molecular Weight:
300.8209
IUPAC Name:
ethyl 2-acetyl-2-chloro-9-methyl-5-methylidenedec-8-enoate
InChI:
InChI=1S/C16H25ClO3/c1-6-20-15(19)16(17,14(5)18)11-10-13(4)9-7-8-12(2)3/h8H,4,6-7,9-11H2,1-3,5H3
InChI Key:
SDVWGUBSECXSPP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)(CCC(=C)CCC=C(C)C)Cl
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.823g/mol
Monoisotopic Mass:
300.149g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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