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89689-29-2 | 9,11-Tridecadien-5-ynoic acid, 8,13-dihydroxy-, methyl ester, (E,Z)-
CAS No: 89689-29-2 Catalog No: AG0042XD MDL No:
Product Description
Catalog Number:
AG0042XD
Chemical Name:
9,11-Tridecadien-5-ynoic acid, 8,13-dihydroxy-, methyl ester, (E,Z)-
CAS Number:
89689-29-2
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
IUPAC Name:
methyl 8,13-dihydroxytrideca-9,11-dien-5-ynoate
InChI:
InChI=1S/C14H20O4/c1-18-14(17)11-7-3-2-5-9-13(16)10-6-4-8-12-15/h4,6,8,10,13,15-16H,3,7,9,11-12H2,1H3
InChI Key:
FOSHTAGTGYNXLW-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC#CCC(/C=C/C=C\CO)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
1
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