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918311-58-7 | 1-Propanone, 1-(3-chloro-2-hydroxy-5-methoxyphenyl)-2-methyl-
CAS No: 918311-58-7 Catalog No: AG006GG3 MDL No:
Product Description
Catalog Number:
AG006GG3
Chemical Name:
1-Propanone, 1-(3-chloro-2-hydroxy-5-methoxyphenyl)-2-methyl-
CAS Number:
918311-58-7
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
IUPAC Name:
1-(3-chloro-2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
InChI:
InChI=1S/C11H13ClO3/c1-6(2)10(13)8-4-7(15-3)5-9(12)11(8)14/h4-6,14H,1-3H3
InChI Key:
CAMZBYPDBCETQZ-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(c(c1)C(=O)C(C)C)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.672g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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