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820209-50-5 | Benzaldehyde, 5-methoxy-2-(2-oxo-2H-1-benzopyran-4-yl)-
CAS No: 820209-50-5 Catalog No: AG0053QP MDL No:
Product Description
Catalog Number:
AG0053QP
Chemical Name:
Benzaldehyde, 5-methoxy-2-(2-oxo-2H-1-benzopyran-4-yl)-
CAS Number:
820209-50-5
Molecular Formula:
C17H12O4
Molecular Weight:
280.2748
IUPAC Name:
5-methoxy-2-(2-oxochromen-4-yl)benzaldehyde
InChI:
InChI=1S/C17H12O4/c1-20-12-6-7-13(11(8-12)10-18)15-9-17(19)21-16-5-3-2-4-14(15)16/h2-10H,1H3
InChI Key:
UPODBZBBLVKRCY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)ccc1c1cc(=O)oc2c1cccc2
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.279g/mol
Monoisotopic Mass:
280.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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