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79439-16-0 | 2,8-Decadienedioic acid, dimethyl ester, (E,E)-
CAS No: 79439-16-0 Catalog No: AG005K3G MDL No:
Product Description
Catalog Number:
AG005K3G
Chemical Name:
2,8-Decadienedioic acid, dimethyl ester, (E,E)-
CAS Number:
79439-16-0
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
dimethyl deca-2,8-dienedioate
InChI:
InChI=1S/C12H18O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h7-10H,3-6H2,1-2H3
InChI Key:
OXOSPEDXQIXGNW-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CCCC/C=C/C(=O)OC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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