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7392-62-3 | 2,2',4-TRIHYDROXY-4'-METHOXYBENZOPHENONE
CAS No: 7392-62-3 Catalog No: AG005IXD MDL No:
Product Description
Catalog Number:
AG005IXD
Chemical Name:
2,2',4-TRIHYDROXY-4'-METHOXYBENZOPHENONE
CAS Number:
7392-62-3
Molecular Formula:
C14H12O5
Molecular Weight:
260.2421
IUPAC Name:
(2,4-dihydroxyphenyl)-(2-hydroxy-4-methoxyphenyl)methanone
InChI:
InChI=1S/C14H12O5/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,15-17H,1H3
InChI Key:
YLQYOUPUVFQNLO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)O)C(=O)c1ccc(cc1O)O
EC Number:
230-984-9
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.245g/mol
Monoisotopic Mass:
260.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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