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113932-58-4 | 2,6-Dodecadienoic acid, 10,11-dihydroxy-3,7,11-trimethyl-
CAS No: 113932-58-4 Catalog No: AG000A2S MDL No:
Product Description
Catalog Number:
AG000A2S
Chemical Name:
2,6-Dodecadienoic acid, 10,11-dihydroxy-3,7,11-trimethyl-
CAS Number:
113932-58-4
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
IUPAC Name:
10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
InChI:
InChI=1S/C15H26O4/c1-11(8-9-13(16)15(3,4)19)6-5-7-12(2)10-14(17)18/h6,10,13,16,19H,5,7-9H2,1-4H3,(H,17,18)
InChI Key:
UULZSWLWBGEDTD-UHFFFAOYSA-N
SMILES:
CC(=CCCC(=CC(=O)O)C)CCC(C(O)(C)C)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.369g/mol
Monoisotopic Mass:
270.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
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