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13252-83-0 | 2H-1-Benzopyran-2-one, 4-hydroxy-6-methyl-
CAS No: 13252-83-0 Catalog No: AG0010S4 MDL No:MFCD00085738
Product Description
Catalog Number:
AG0010S4
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-6-methyl-
CAS Number:
13252-83-0
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00085738
IUPAC Name:
4-hydroxy-6-methylchromen-2-one
InChI:
InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3
InChI Key:
WIRGBZBGYNIZIB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(O)cc(=O)o2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| A functionalized enol lactone containing a protected α-amino acid. | Acta crystallographica. Section E, Structure reports online 20101201 |
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