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13038-20-5 | 2-Dodecenedioic acid, 1,12-dimethyl ester, (2E)-
CAS No: 13038-20-5 Catalog No: AG000UCD MDL No:
Product Description
Catalog Number:
AG000UCD
Chemical Name:
2-Dodecenedioic acid, 1,12-dimethyl ester, (2E)-
CAS Number:
13038-20-5
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
dimethyl dodec-2-enedioate
InChI:
InChI=1S/C14H24O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h9,11H,3-8,10,12H2,1-2H3
InChI Key:
XKZYDAGFYXSVFG-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCC/C=C/C(=O)OC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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