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Home > Aldehydes > 920525-97-9
920525-97-9 | 2H-1-Benzopyran-3-carboxaldehyde, 7-methyl-2-oxo-
CAS No: 920525-97-9 Catalog No: AG0060J7 MDL No:
Product Description
Catalog Number:
AG0060J7
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 7-methyl-2-oxo-
CAS Number:
920525-97-9
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
IUPAC Name:
7-methyl-2-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C11H8O3/c1-7-2-3-8-5-9(6-12)11(13)14-10(8)4-7/h2-6H,1H3
InChI Key:
KNWCEUDFGJYWOC-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccc(cc2oc1=O)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.182g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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