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26187-80-4 | 2,6-Octadienoic acid, 8-hydroxy-2,6-dimethyl-, (2E,6E)-
CAS No: 26187-80-4 Catalog No: AG002S4E MDL No:MFCD20260355
Product Description
Catalog Number:
AG002S4E
Chemical Name:
2,6-Octadienoic acid, 8-hydroxy-2,6-dimethyl-, (2E,6E)-
CAS Number:
26187-80-4
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
MDL Number:
MFCD20260355
IUPAC Name:
(2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoic acid
InChI:
InChI=1S/C10H16O3/c1-8(6-7-11)4-3-5-9(2)10(12)13/h5-6,11H,3-4,7H2,1-2H3,(H,12,13)/b8-6+,9-5+
InChI Key:
SMFMBDDFGPDMMD-RFSWUZDDSA-N
SMILES:
OC/C=C(/CC/C=C(/C(=O)O)\C)\C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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