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159395-50-3 | 2H-Pyran-2-one, 4-chloro-3-hydroxy-
CAS No: 159395-50-3 Catalog No: AG001QNW MDL No:
Product Description
Catalog Number:
AG001QNW
Chemical Name:
2H-Pyran-2-one, 4-chloro-3-hydroxy-
CAS Number:
159395-50-3
Molecular Formula:
C5H3ClO3
Molecular Weight:
146.5285
IUPAC Name:
4-chloro-3-hydroxypyran-2-one
InChI:
InChI=1S/C5H3ClO3/c6-3-1-2-9-5(8)4(3)7/h1-2,7H
InChI Key:
APUDQVBLDHADNZ-UHFFFAOYSA-N
SMILES:
Clc1ccoc(=O)c1O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.977g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.526g/mol
Monoisotopic Mass:
145.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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