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3098-38-2 | Ethanone, 1,1'-(2,4-dihydroxy-6-methoxy-1,3-phenylene)bis-
CAS No: 3098-38-2 Catalog No: AG0031TL MDL No:MFCD00100564
Product Description
Catalog Number:
AG0031TL
Chemical Name:
Ethanone, 1,1'-(2,4-dihydroxy-6-methoxy-1,3-phenylene)bis-
CAS Number:
3098-38-2
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
MDL Number:
MFCD00100564
IUPAC Name:
1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)ethanone
InChI:
InChI=1S/C11H12O5/c1-5(12)9-7(14)4-8(16-3)10(6(2)13)11(9)15/h4,14-15H,1-3H3
InChI Key:
ZUQRDBCPZDOGMJ-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(c(c1C(=O)C)O)C(=O)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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