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918503-27-2 | 7-Nonenoic acid, 2,2-dichloro-8-methyl-3-oxo-, ethyl ester
CAS No: 918503-27-2 Catalog No: AG006DO0 MDL No:
Product Description
Catalog Number:
AG006DO0
Chemical Name:
7-Nonenoic acid, 2,2-dichloro-8-methyl-3-oxo-, ethyl ester
CAS Number:
918503-27-2
Molecular Formula:
C12H18Cl2O3
Molecular Weight:
281.1755
IUPAC Name:
ethyl 2,2-dichloro-8-methyl-3-oxonon-7-enoate
InChI:
InChI=1S/C12H18Cl2O3/c1-4-17-11(16)12(13,14)10(15)8-6-5-7-9(2)3/h7H,4-6,8H2,1-3H3
InChI Key:
VXNFWCRVOMDZRY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)CCCC=C(C)C)(Cl)Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.173g/mol
Monoisotopic Mass:
280.063g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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