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20180-58-9 | 3-Octen-5-yne-2,7-diol, 2,7-dimethyl-, (3E)-
CAS No: 20180-58-9 Catalog No: AG0027UD MDL No:
Product Description
Catalog Number:
AG0027UD
Chemical Name:
3-Octen-5-yne-2,7-diol, 2,7-dimethyl-, (3E)-
CAS Number:
20180-58-9
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2,7-dimethyloct-3-en-5-yne-2,7-diol
InChI:
InChI=1S/C10H16O2/c1-9(2,11)7-5-6-8-10(3,4)12/h5,7,11-12H,1-4H3
InChI Key:
UIBGYDURMOCZOU-UHFFFAOYSA-N
SMILES:
CC(/C=C/C#CC(O)(C)C)(O)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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