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87131-34-8 | 2H-1-Benzopyran-4-carboxaldehyde, 5,7-dimethoxy-2-oxo-
CAS No: 87131-34-8 Catalog No: AG004KMK MDL No:
Product Description
Catalog Number:
AG004KMK
Chemical Name:
2H-1-Benzopyran-4-carboxaldehyde, 5,7-dimethoxy-2-oxo-
CAS Number:
87131-34-8
Molecular Formula:
C12H10O5
Molecular Weight:
234.2048
IUPAC Name:
5,7-dimethoxy-2-oxochromene-4-carbaldehyde
InChI:
InChI=1S/C12H10O5/c1-15-8-4-9(16-2)12-7(6-13)3-11(14)17-10(12)5-8/h3-6H,1-2H3
InChI Key:
IYCVJEVBLGIQOU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1c(C=O)cc(=O)o2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.207g/mol
Monoisotopic Mass:
234.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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