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189034-81-9 | 3-Dodecenedioic acid, 1-(1-hydroxyhexyl) 12-methyl ester, (3Z)-
CAS No: 189034-81-9 Catalog No: AG002HRC MDL No:
Product Description
Catalog Number:
AG002HRC
Chemical Name:
3-Dodecenedioic acid, 1-(1-hydroxyhexyl) 12-methyl ester, (3Z)-
CAS Number:
189034-81-9
Molecular Formula:
C19H34O5
Molecular Weight:
342.4703
IUPAC Name:
1-O-(1-hydroxyhexyl) 12-O-methyl dodec-3-enedioate
InChI:
InChI=1S/C19H34O5/c1-3-4-11-15-18(21)24-19(22)16-13-10-8-6-5-7-9-12-14-17(20)23-2/h10,13,18,21H,3-9,11-12,14-16H2,1-2H3
InChI Key:
CZXNVKVDGGKTHA-UHFFFAOYSA-N
SMILES:
CCCCCC(OC(=O)C/C=C\CCCCCCCC(=O)OC)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.241g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.476g/mol
Monoisotopic Mass:
342.241g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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