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13830-65-4 | 2H-1-Benzopyran-2-one, 8-ethyl-7-hydroxy-4-methyl-
CAS No: 13830-65-4 Catalog No: AG0018HB MDL No:
Product Description
Catalog Number:
AG0018HB
Chemical Name:
2H-1-Benzopyran-2-one, 8-ethyl-7-hydroxy-4-methyl-
CAS Number:
13830-65-4
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
8-ethyl-7-hydroxy-4-methylchromen-2-one
InChI:
InChI=1S/C12H12O3/c1-3-8-10(13)5-4-9-7(2)6-11(14)15-12(8)9/h4-6,13H,3H2,1-2H3
InChI Key:
CFOQHSAGRMTFIW-UHFFFAOYSA-N
SMILES:
CCc1c(O)ccc2c1oc(=O)cc2C
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:
2.3
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