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139618-24-9 | 1,7-Heptanediol, 2,6-bis(methylene)-
CAS No: 139618-24-9 Catalog No: AG001BEC MDL No:
Product Description
Catalog Number:
AG001BEC
Chemical Name:
1,7-Heptanediol, 2,6-bis(methylene)-
CAS Number:
139618-24-9
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2,6-dimethylideneheptane-1,7-diol
InChI:
InChI=1S/C9H16O2/c1-8(6-10)4-3-5-9(2)7-11/h10-11H,1-7H2
InChI Key:
KJOUODJIQYVKMG-UHFFFAOYSA-N
SMILES:
OCC(=C)CCCC(=C)CO
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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