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70460-52-5 | 2-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-2,3-DIMETHOXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
CAS No: 70460-52-5 Catalog No: AG005IVY MDL No:
Product Description
Catalog Number:
AG005IVY
Chemical Name:
2-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-2,3-DIMETHOXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
CAS Number:
70460-52-5
Molecular Formula:
C19H20O7
Molecular Weight:
360.3579
IUPAC Name:
2-(3,4-dimethoxyphenyl)-3-hydroxy-2,3-dimethoxychromen-4-one
InChI:
InChI=1S/C19H20O7/c1-22-15-10-9-12(11-16(15)23-2)19(25-4)18(21,24-3)17(20)13-7-5-6-8-14(13)26-19/h5-11,21H,1-4H3
InChI Key:
JSZCHYIDMHAVMV-UHFFFAOYSA-N
SMILES:
COC1(Oc2ccccc2C(=O)C1(O)OC)c1ccc(c(c1)OC)OC
NSC Number:
102056
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.362g/mol
Monoisotopic Mass:
360.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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