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75743-72-5 | 4H-Pyran-4-one, 6-(chloromethyl)-3-hydroxy-2-methoxy-
CAS No: 75743-72-5 Catalog No: AG005IQM MDL No:
Product Description
Catalog Number:
AG005IQM
Chemical Name:
4H-Pyran-4-one, 6-(chloromethyl)-3-hydroxy-2-methoxy-
CAS Number:
75743-72-5
Molecular Formula:
C7H7ClO4
Molecular Weight:
190.5811
IUPAC Name:
6-(chloromethyl)-3-hydroxy-2-methoxypyran-4-one
InChI:
InChI=1S/C7H7ClO4/c1-11-7-6(10)5(9)2-4(3-8)12-7/h2,10H,3H2,1H3
InChI Key:
RTUKTSYKAOJBDL-UHFFFAOYSA-N
SMILES:
COc1oc(CCl)cc(=O)c1O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.003g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.579g/mol
Monoisotopic Mass:
190.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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