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130688-89-0 | 4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-6-methoxy-, (E)- (9CI)
CAS No: 130688-89-0 Catalog No: AG000UTG MDL No:
Product Description
Catalog Number:
AG000UTG
Chemical Name:
4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-6-methoxy-, (E)- (9CI)
CAS Number:
130688-89-0
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
IUPAC Name:
3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxychromen-4-one
InChI:
InChI=1S/C19H18O5/c1-21-14-5-7-16-15(10-14)19(20)13(11-24-16)8-12-4-6-17(22-2)18(9-12)23-3/h4-10H,11H2,1-3H3
InChI Key:
LKNQAOXZCFPRFA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)/C(=C/c1ccc(c(c1)OC)OC)/CO2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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