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845734-48-7 | 6-Octene-1,3,8-triol, 2,2,6-trimethyl-, (3R,6E)-
CAS No: 845734-48-7 Catalog No: AG004R0H MDL No:
Product Description
Catalog Number:
AG004R0H
Chemical Name:
6-Octene-1,3,8-triol, 2,2,6-trimethyl-, (3R,6E)-
CAS Number:
845734-48-7
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
(3R)-2,2,6-trimethyloct-6-ene-1,3,8-triol
InChI:
InChI=1S/C11H22O3/c1-9(6-7-12)4-5-10(14)11(2,3)8-13/h6,10,12-14H,4-5,7-8H2,1-3H3/t10-/m1/s1
InChI Key:
HXSSQLQYXYIMPU-SNVBAGLBSA-N
SMILES:
OC/C=C(/CC[C@H](C(CO)(C)C)O)\C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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