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115823-68-2 | 3-Pentyn-2-ol, 1-chloro-2-methyl-
CAS No: 115823-68-2 Catalog No: AG000GWL MDL No:
Product Description
Catalog Number:
AG000GWL
Chemical Name:
3-Pentyn-2-ol, 1-chloro-2-methyl-
CAS Number:
115823-68-2
Molecular Formula:
C6H9ClO
Molecular Weight:
132.5881
IUPAC Name:
1-chloro-2-methylpent-3-yn-2-ol
InChI:
InChI=1S/C6H9ClO/c1-3-4-6(2,8)5-7/h8H,5H2,1-2H3
InChI Key:
IXTKIQFZYANJQU-UHFFFAOYSA-N
SMILES:
CC(C#CC)(CCl)O
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.034g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.587g/mol
Monoisotopic Mass:
132.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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