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22963-82-2 | 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, ethyl ester
CAS No: 22963-82-2 Catalog No: AG002LPR MDL No:
Product Description
Catalog Number:
AG002LPR
Chemical Name:
2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, ethyl ester
CAS Number:
22963-82-2
Molecular Formula:
C17H30Cl2O2
Molecular Weight:
337.3249
IUPAC Name:
ethyl 7,11-dichloro-3,7,11-trimethyldodec-2-enoate
InChI:
InChI=1S/C17H30Cl2O2/c1-6-21-15(20)13-14(2)9-7-11-17(5,19)12-8-10-16(3,4)18/h13H,6-12H2,1-5H3
InChI Key:
MTSACDRALZFBSQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(CCCC(CCCC(Cl)(C)C)(Cl)C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.325g/mol
Monoisotopic Mass:
336.162g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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