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159223-55-9 | 2H-Pyran-2,4-diol, 6-(chloromethyl)tetrahydro-
CAS No: 159223-55-9 Catalog No: AG001QKJ MDL No:
Product Description
Catalog Number:
AG001QKJ
Chemical Name:
2H-Pyran-2,4-diol, 6-(chloromethyl)tetrahydro-
CAS Number:
159223-55-9
Molecular Formula:
C6H11ClO3
Molecular Weight:
166.6027
IUPAC Name:
6-(chloromethyl)oxane-2,4-diol
InChI:
InChI=1S/C6H11ClO3/c7-3-5-1-4(8)2-6(9)10-5/h4-6,8-9H,1-3H2
InChI Key:
FKGBHDMAIUNVOB-UHFFFAOYSA-N
SMILES:
ClCC1CC(O)CC(O1)O
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.601g/mol
Monoisotopic Mass:
166.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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