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757228-04-9 | 2H-Pyran-2-one, 4-chloro-3-hydroxy-6-propyl-
CAS No: 757228-04-9 Catalog No: AG005AD5 MDL No:
Product Description
Catalog Number:
AG005AD5
Chemical Name:
2H-Pyran-2-one, 4-chloro-3-hydroxy-6-propyl-
CAS Number:
757228-04-9
Molecular Formula:
C8H9ClO3
Molecular Weight:
188.6083
IUPAC Name:
4-chloro-3-hydroxy-6-propylpyran-2-one
InChI:
InChI=1S/C8H9ClO3/c1-2-3-5-4-6(9)7(10)8(11)12-5/h4,10H,2-3H2,1H3
InChI Key:
ANUQLWQHSUVKJR-UHFFFAOYSA-N
SMILES:
CCCc1cc(Cl)c(c(=O)o1)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.607g/mol
Monoisotopic Mass:
188.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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