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156368-99-9 | 2,4-Dodecadienoic acid, 8,12-dihydroxy-, (2E,4E,8S)-
CAS No: 156368-99-9 Catalog No: AG001OOX MDL No:
Product Description
Catalog Number:
AG001OOX
Chemical Name:
2,4-Dodecadienoic acid, 8,12-dihydroxy-, (2E,4E,8S)-
CAS Number:
156368-99-9
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
8,12-dihydroxydodeca-2,4-dienoic acid
InChI:
InChI=1S/C12H20O4/c13-10-6-5-8-11(14)7-3-1-2-4-9-12(15)16/h1-2,4,9,11,13-14H,3,5-8,10H2,(H,15,16)
InChI Key:
GVIMYWNWIIWNBB-UHFFFAOYSA-N
SMILES:
OCCCC[C@@H](CC/C=C/C=C/C(=O)O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
1.3
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