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864514-24-9 | 1,8-Nonadiene-4,6-diol, 5,5-dimethyl-, (4R,6R)-
CAS No: 864514-24-9 Catalog No: AG004QUP MDL No:
Product Description
Catalog Number:
AG004QUP
Chemical Name:
1,8-Nonadiene-4,6-diol, 5,5-dimethyl-, (4R,6R)-
CAS Number:
864514-24-9
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
(4R,6R)-5,5-dimethylnona-1,8-diene-4,6-diol
InChI:
InChI=1S/C11H20O2/c1-5-7-9(12)11(3,4)10(13)8-6-2/h5-6,9-10,12-13H,1-2,7-8H2,3-4H3/t9-,10-/m1/s1
InChI Key:
QLRPWSGFPOVURF-NXEZZACHSA-N
SMILES:
C=CC[C@H](C([C@@H](CC=C)O)(C)C)O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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