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99750-50-2 | 3,4-dimethyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan
CAS No: 99750-50-2 Catalog No: AG003X17 MDL No:
Product Description
Catalog Number:
AG003X17
Chemical Name:
3,4-dimethyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan
CAS Number:
99750-50-2
Molecular Formula:
C20H20O5
Molecular Weight:
340.3698
IUPAC Name:
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylfuran-2-yl]-2-methoxyphenol
InChI:
InChI=1S/C20H20O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-10,21-22H,1-4H3
InChI Key:
OIXPKFRMEUTHOG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)c1oc(c(c1C)C)c1ccc(c(c1)OC)O
UNII:
B92R7Z78ZX
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.375g/mol
Monoisotopic Mass:
340.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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