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823792-12-7 | 9-Decen-4-yn-1-ol, 6-methoxy-
CAS No: 823792-12-7 Catalog No: AG0053EY MDL No:
Product Description
Catalog Number:
AG0053EY
Chemical Name:
9-Decen-4-yn-1-ol, 6-methoxy-
CAS Number:
823792-12-7
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
6-methoxydec-9-en-4-yn-1-ol
InChI:
InChI=1S/C11H18O2/c1-3-4-8-11(13-2)9-6-5-7-10-12/h3,11-12H,1,4-5,7-8,10H2,2H3
InChI Key:
FXRTUZFFYIBMKB-UHFFFAOYSA-N
SMILES:
OCCCC#CC(CCC=C)OC
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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