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123150-64-1 | 4-Penten-2-yn-1-ol, 5-chloro-, (4Z)-
CAS No: 123150-64-1 Catalog No: AG000K39 MDL No:
Product Description
Catalog Number:
AG000K39
Chemical Name:
4-Penten-2-yn-1-ol, 5-chloro-, (4Z)-
CAS Number:
123150-64-1
Molecular Formula:
C5H5ClO
Molecular Weight:
116.5456
IUPAC Name:
5-chloropent-4-en-2-yn-1-ol
InChI:
InChI=1S/C5H5ClO/c6-4-2-1-3-5-7/h2,4,7H,5H2
InChI Key:
QCRWEGFSLUDMDM-UHFFFAOYSA-N
SMILES:
OCC#C/C=C\Cl
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.003g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.544g/mol
Monoisotopic Mass:
116.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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