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190008-66-3 | 1-Nonene-3,5-diol, (5S)-
CAS No: 190008-66-3 Catalog No: AG002E9J MDL No:
Product Description
Catalog Number:
AG002E9J
Chemical Name:
1-Nonene-3,5-diol, (5S)-
CAS Number:
190008-66-3
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
(5S)-non-1-ene-3,5-diol
InChI:
InChI=1S/C9H18O2/c1-3-5-6-9(11)7-8(10)4-2/h4,8-11H,2-3,5-7H2,1H3/t8?,9-/m0/s1
InChI Key:
QVETUMQDECIBBA-GKAPJAKFSA-N
SMILES:
CCCC[C@@H](CC(C=C)O)O
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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