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138059-79-7 | 5-Hexyn-1-ol, 6-(2-methyl-2-oxiranyl)-
CAS No: 138059-79-7 Catalog No: AG0017XD MDL No:
Product Description
Catalog Number:
AG0017XD
Chemical Name:
5-Hexyn-1-ol, 6-(2-methyl-2-oxiranyl)-
CAS Number:
138059-79-7
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
6-(2-methyloxiran-2-yl)hex-5-yn-1-ol
InChI:
InChI=1S/C9H14O2/c1-9(8-11-9)6-4-2-3-5-7-10/h10H,2-3,5,7-8H2,1H3
InChI Key:
GMZPCDAKUCKLEH-UHFFFAOYSA-N
SMILES:
CC1(CO1)C#CCCCCO
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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