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10075-11-3 | 10,12-Octadecadienoic acid, 9-hydroxy-, (9R,10E,12Z)-
CAS No: 10075-11-3 Catalog No: AG0002SL MDL No:MFCD00084832
Product Description
Catalog Number:
AG0002SL
Chemical Name:
10,12-Octadecadienoic acid, 9-hydroxy-, (9R,10E,12Z)-
CAS Number:
10075-11-3
Molecular Formula:
C18H32O3
Molecular Weight:
296.4449
MDL Number:
MFCD00084832
IUPAC Name:
(9R,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
InChI:
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m0/s1
InChI Key:
NPDSHTNEKLQQIJ-WXUVIADPSA-N
SMILES:
CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
2
Exact Mass:
296.235g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.451g/mol
Monoisotopic Mass:
296.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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