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82343-40-6 | 2-Decenoic acid, 5-hydroxy-3-methyl-, ethyl ester, (E)-
CAS No: 82343-40-6 Catalog No: AG005DXJ MDL No:
Product Description
Catalog Number:
AG005DXJ
Chemical Name:
2-Decenoic acid, 5-hydroxy-3-methyl-, ethyl ester, (E)-
CAS Number:
82343-40-6
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
ethyl 5-hydroxy-3-methyldec-2-enoate
InChI:
InChI=1S/C13H24O3/c1-4-6-7-8-12(14)9-11(3)10-13(15)16-5-2/h10,12,14H,4-9H2,1-3H3
InChI Key:
ABRSRCMBBDRDNV-UHFFFAOYSA-N
SMILES:
CCCCCC(C/C(=C/C(=O)OCC)/C)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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