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89682-41-7 | 6,8-Decadienoic acid, 5,10-dihydroxy-10-methoxy-, methyl ester
CAS No: 89682-41-7 Catalog No: AG0043H5 MDL No:
Product Description
Catalog Number:
AG0043H5
Chemical Name:
6,8-Decadienoic acid, 5,10-dihydroxy-10-methoxy-, methyl ester
CAS Number:
89682-41-7
Molecular Formula:
C12H20O5
Molecular Weight:
244.2842
IUPAC Name:
methyl 5,10-dihydroxy-10-methoxydeca-6,8-dienoate
InChI:
InChI=1S/C12H20O5/c1-16-11(14)8-4-3-6-10(13)7-5-9-12(15)17-2/h3-4,6,8,10-11,13-14H,5,7,9H2,1-2H3
InChI Key:
KTTYDIOJGGCORG-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(C=CC=CC(OC)O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.287g/mol
Monoisotopic Mass:
244.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
0.4
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