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114284-56-9 | 8-Nonenoic acid, 6-hydroxy-6-(2-propen-1-yl)-, methyl ester
CAS No: 114284-56-9 Catalog No: AG000AYL MDL No:
Product Description
Catalog Number:
AG000AYL
Chemical Name:
8-Nonenoic acid, 6-hydroxy-6-(2-propen-1-yl)-, methyl ester
CAS Number:
114284-56-9
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
methyl 6-hydroxy-6-prop-2-enylnon-8-enoate
InChI:
InChI=1S/C13H22O3/c1-4-9-13(15,10-5-2)11-7-6-8-12(14)16-3/h4-5,15H,1-2,6-11H2,3H3
InChI Key:
DZBLJZSCDXCKKQ-UHFFFAOYSA-N
SMILES:
C=CCC(CC=C)(CCCCC(=O)OC)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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