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114534-21-3 | 5-Hexen-3-yn-1-ol, 6-chloro-, (5Z)-
CAS No: 114534-21-3 Catalog No: AG000ENR MDL No:
Product Description
Catalog Number:
AG000ENR
Chemical Name:
5-Hexen-3-yn-1-ol, 6-chloro-, (5Z)-
CAS Number:
114534-21-3
Molecular Formula:
C6H7ClO
Molecular Weight:
130.5722
IUPAC Name:
6-chlorohex-5-en-3-yn-1-ol
InChI:
InChI=1S/C6H7ClO/c7-5-3-1-2-4-6-8/h3,5,8H,4,6H2
InChI Key:
GPWNAWNKFOROSY-UHFFFAOYSA-N
SMILES:
OCCC#C/C=C\Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.019g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.571g/mol
Monoisotopic Mass:
130.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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