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77184-86-2 | Ethanedione, (2-hydroxy-4-methoxyphenyl)(4-methoxyphenyl)-
CAS No: 77184-86-2 Catalog No: AG005DD9 MDL No:
Product Description
Catalog Number:
AG005DD9
Chemical Name:
Ethanedione, (2-hydroxy-4-methoxyphenyl)(4-methoxyphenyl)-
CAS Number:
77184-86-2
Molecular Formula:
C16H14O5
Molecular Weight:
286.2794
IUPAC Name:
1-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethane-1,2-dione
InChI:
InChI=1S/C16H14O5/c1-20-11-5-3-10(4-6-11)15(18)16(19)13-8-7-12(21-2)9-14(13)17/h3-9,17H,1-2H3
InChI Key:
VTBKVWRCIDCQCM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(=O)c1ccc(cc1O)OC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.283g/mol
Monoisotopic Mass:
286.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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