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80865-45-8 | 5-Hexenoic acid, 4,5-dimethyl-2-methylene-, ethyl ester
CAS No: 80865-45-8 Catalog No: AG0057CB MDL No:
Product Description
Catalog Number:
AG0057CB
Chemical Name:
5-Hexenoic acid, 4,5-dimethyl-2-methylene-, ethyl ester
CAS Number:
80865-45-8
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
ethyl 4,5-dimethyl-2-methylidenehex-5-enoate
InChI:
InChI=1S/C11H18O2/c1-6-13-11(12)10(5)7-9(4)8(2)3/h9H,2,5-7H2,1,3-4H3
InChI Key:
JBAIYZKLWCXQBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C)CC(C(=C)C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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