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94420-03-8 | 4H-1-Benzopyran-8-carboxaldehyde, 2-methyl-4-oxo-
CAS No: 94420-03-8 Catalog No: AG005XGV MDL No:
Product Description
Catalog Number:
AG005XGV
Chemical Name:
4H-1-Benzopyran-8-carboxaldehyde, 2-methyl-4-oxo-
CAS Number:
94420-03-8
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
IUPAC Name:
2-methyl-4-oxochromene-8-carbaldehyde
InChI:
InChI=1S/C11H8O3/c1-7-5-10(13)9-4-2-3-8(6-12)11(9)14-7/h2-6H,1H3
InChI Key:
GHFSSIKZGPKFMU-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1oc(C)cc2=O
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:
1.4
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