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1484-73-7 | 2H-1-Benzopyran-2-one, 6-ethyl-7-hydroxy-4-methyl-
CAS No: 1484-73-7 Catalog No: AG001KWP MDL No:MFCD01106609
Product Description
Catalog Number:
AG001KWP
Chemical Name:
2H-1-Benzopyran-2-one, 6-ethyl-7-hydroxy-4-methyl-
CAS Number:
1484-73-7
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD01106609
IUPAC Name:
6-ethyl-7-hydroxy-4-methylchromen-2-one
InChI:
InChI=1S/C12H12O3/c1-3-8-5-9-7(2)4-12(14)15-11(9)6-10(8)13/h4-6,13H,3H2,1-2H3
InChI Key:
QHDTWGXIYHPUKI-UHFFFAOYSA-N
SMILES:
CCc1cc2c(C)cc(=O)oc2cc1O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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