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176050-28-5 | Butanedioic acid, 1-(dodecen-1-yl) ester
CAS No: 176050-28-5 Catalog No: AG0021EP MDL No:
Product Description
Catalog Number:
AG0021EP
Chemical Name:
Butanedioic acid, 1-(dodecen-1-yl) ester
CAS Number:
176050-28-5
Molecular Formula:
C16H27O4-
Molecular Weight:
283.3832
IUPAC Name:
4-dodec-1-enoxy-4-oxobutanoate
InChI:
InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h11,14H,2-10,12-13H2,1H3,(H,17,18)/p-1
InChI Key:
GMVDOFFZBJOCCK-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCC=COC(=O)CCC(=O)[O-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.191g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.388g/mol
Monoisotopic Mass:
283.191g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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