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139720-72-2 | Decanoic acid, 2-[(1-oxo-2-buten-1-yl)oxy]ethyl ester
CAS No: 139720-72-2 Catalog No: AG001BLC MDL No:
Product Description
Catalog Number:
AG001BLC
Chemical Name:
Decanoic acid, 2-[(1-oxo-2-buten-1-yl)oxy]ethyl ester
CAS Number:
139720-72-2
Molecular Formula:
C16H28O4
Molecular Weight:
284.3911
IUPAC Name:
2-but-2-enoyloxyethyl decanoate
InChI:
InChI=1S/C16H28O4/c1-3-5-6-7-8-9-10-12-16(18)20-14-13-19-15(17)11-4-2/h4,11H,3,5-10,12-14H2,1-2H3
InChI Key:
HYYFMVJTQXBSKC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OCCOC(=O)C=CC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.396g/mol
Monoisotopic Mass:
284.199g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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