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100634-10-4

100634-10-4 | 1-Propanone, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-

CAS No: 100634-10-4 Catalog No: AG0002JP MDL No:

Product Description

Catalog Number:
AG0002JP
Chemical Name:
1-Propanone, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-
CAS Number:
100634-10-4
Molecular Formula:
C15H14O5
Molecular Weight:
274.2687
IUPAC Name:
1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)propan-1-one
InChI:
InChI=1S/C15H14O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h2-4,6-8,16,18-20H,1,5H2
InChI Key:
COJOQFDCXGJYAT-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)C(=O)CCc1ccc(c(c1)O)O

Properties

Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.084g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
274.272g/mol
Monoisotopic Mass:
274.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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