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820209-53-8 | Benzaldehyde, 3,5-dimethoxy-2-(2-oxo-2H-1-benzopyran-4-yl)-
CAS No: 820209-53-8 Catalog No: AG008KNV MDL No:
Product Description
Catalog Number:
AG008KNV
Chemical Name:
Benzaldehyde, 3,5-dimethoxy-2-(2-oxo-2H-1-benzopyran-4-yl)-
CAS Number:
820209-53-8
Molecular Formula:
C18H14O5
Molecular Weight:
310.3008
IUPAC Name:
3,5-dimethoxy-2-(2-oxochromen-4-yl)benzaldehyde
InChI:
InChI=1S/C18H14O5/c1-21-12-7-11(10-19)18(16(8-12)22-2)14-9-17(20)23-15-6-4-3-5-13(14)15/h3-10H,1-2H3
InChI Key:
YZNWDCVFRUKWBR-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C=O)c1cc(=O)oc2c1cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.305g/mol
Monoisotopic Mass:
310.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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