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84282-46-2 | 2-Octen-4-yne-1,6-diol,6-ethyl-3-methyl-
CAS No: 84282-46-2 Catalog No: AG0056OL MDL No:
Product Description
Catalog Number:
AG0056OL
Chemical Name:
2-Octen-4-yne-1,6-diol,6-ethyl-3-methyl-
CAS Number:
84282-46-2
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
(E)-6-ethyl-3-methyloct-2-en-4-yne-1,6-diol
InChI:
InChI=1S/C11H18O2/c1-4-11(13,5-2)8-6-10(3)7-9-12/h7,12-13H,4-5,9H2,1-3H3/b10-7+
InChI Key:
OVHYGGOAWKXJLR-JXMROGBWSA-N
SMILES:
OCC=C(C#CC(CC)(CC)O)C
EC Number:
282-691-0
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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