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Home > Aldehydes > 820209-64-1
820209-64-1 | Benzaldehyde, 4-(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)-
CAS No: 820209-64-1 Catalog No: AG008KNS MDL No:
Product Description
Catalog Number:
AG008KNS
Chemical Name:
Benzaldehyde, 4-(6-methoxy-2-oxo-2H-1-benzopyran-4-yl)-
CAS Number:
820209-64-1
Molecular Formula:
C17H12O4
Molecular Weight:
280.2748
IUPAC Name:
4-(6-methoxy-2-oxochromen-4-yl)benzaldehyde
InChI:
InChI=1S/C17H12O4/c1-20-13-6-7-16-15(8-13)14(9-17(19)21-16)12-4-2-11(10-18)3-5-12/h2-10H,1H3
InChI Key:
ZJRPEWLQKZTXEX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(cc(=O)o2)c1ccc(cc1)C=O
Properties
Complexity:
434
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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