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13229-59-9 | 6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
CAS No: 13229-59-9 Catalog No: AG019TEM MDL No:MFCD15527094
Product Description
Catalog Number:
AG019TEM
Chemical Name:
6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
CAS Number:
13229-59-9
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD15527094
IUPAC Name:
6-methoxy-2,2-dimethyl-3H-chromen-4-one
InChI:
InChI=1S/C12H14O3/c1-12(2)7-10(13)9-6-8(14-3)4-5-11(9)15-12/h4-6H,7H2,1-3H3
InChI Key:
ZCZUDOBLRMXOGV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)CC(O2)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Secondary metabolite production by the basidiomycete, Lentinus strigellus, under different culture conditions. | Natural product communications 20120601 |
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