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89065-48-5 | 4-Decenoic acid, 8-hydroxy-4,9-dimethyl-, methyl ester, (E)-
CAS No: 89065-48-5 Catalog No: AG0041AJ MDL No:
Product Description
Catalog Number:
AG0041AJ
Chemical Name:
4-Decenoic acid, 8-hydroxy-4,9-dimethyl-, methyl ester, (E)-
CAS Number:
89065-48-5
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
methyl 8-hydroxy-4,9-dimethyldec-4-enoate
InChI:
InChI=1S/C13H24O3/c1-10(2)12(14)7-5-6-11(3)8-9-13(15)16-4/h6,10,12,14H,5,7-9H2,1-4H3
InChI Key:
VMLPMJNSJGJQAF-UHFFFAOYSA-N
SMILES:
COC(=O)CC/C(=C/CCC(C(C)C)O)/C
Properties
Complexity:
231
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:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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