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Home > Aldehydes > 126214-23-1
126214-23-1 | 2H-1-Benzopyran-3-carboxaldehyde, 4-hydroxy-6-methyl-2-oxo-
CAS No: 126214-23-1 Catalog No: AG000SCU MDL No:
Product Description
Catalog Number:
AG000SCU
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 4-hydroxy-6-methyl-2-oxo-
CAS Number:
126214-23-1
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
IUPAC Name:
4-hydroxy-6-methyl-2-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)10(13)8(5-12)11(14)15-9/h2-5,13H,1H3
InChI Key:
GNJLDOHIPVFYTM-UHFFFAOYSA-N
SMILES:
O=Cc1c(=O)oc2c(c1O)cc(cc2)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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