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820244-98-2 | 6,10-Undecadienoic acid, 3-hydroxy-6,10-dimethyl-, methyl ester, (6E)-
CAS No: 820244-98-2 Catalog No: AG004Y60 MDL No:
Product Description
Catalog Number:
AG004Y60
Chemical Name:
6,10-Undecadienoic acid, 3-hydroxy-6,10-dimethyl-, methyl ester, (6E)-
CAS Number:
820244-98-2
Molecular Formula:
C14H24O3
Molecular Weight:
240.3386
IUPAC Name:
methyl 3-hydroxy-6,10-dimethylundeca-6,10-dienoate
InChI:
InChI=1S/C14H24O3/c1-11(2)6-5-7-12(3)8-9-13(15)10-14(16)17-4/h7,13,15H,1,5-6,8-10H2,2-4H3
InChI Key:
AYXQWHQODOLVIO-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CC/C(=C/CCC(=C)C)/C)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.343g/mol
Monoisotopic Mass:
240.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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