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102624-59-9 | Ethanone, 1-(3-chloro-2,6-dihydroxy-5-propylphenyl)-
CAS No: 102624-59-9 Catalog No: AG0007YS MDL No:MFCD28127561
Product Description
Catalog Number:
AG0007YS
Chemical Name:
Ethanone, 1-(3-chloro-2,6-dihydroxy-5-propylphenyl)-
CAS Number:
102624-59-9
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
MDL Number:
MFCD28127561
IUPAC Name:
1-(3-chloro-2,6-dihydroxy-5-propylphenyl)ethanone
InChI:
InChI=1S/C11H13ClO3/c1-3-4-7-5-8(12)11(15)9(6(2)13)10(7)14/h5,14-15H,3-4H2,1-2H3
InChI Key:
FVJDDYSKNLYJKB-UHFFFAOYSA-N
SMILES:
CCCc1cc(Cl)c(c(c1O)C(=O)C)O
Properties
Complexity:
232
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:
2
Isotope Atom Count:
0
Molecular Weight:
228.672g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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