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100047-51-6 | 2H-Pyran-2-one, 4-methoxy-
CAS No: 100047-51-6 Catalog No: AG0000NI MDL No:
Product Description
Catalog Number:
AG0000NI
Chemical Name:
2H-Pyran-2-one, 4-methoxy-
CAS Number:
100047-51-6
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
IUPAC Name:
4-methoxypyran-2-one
InChI:
InChI=1S/C6H6O3/c1-8-5-2-3-9-6(7)4-5/h2-4H,1H3
InChI Key:
JJPSEHGCDTWSGN-UHFFFAOYSA-N
SMILES:
COc1ccoc(=O)c1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Triplet photosensitization in cyercene A and related pyrones. | Journal of photochemistry and photobiology. B, Biology 20060501 |
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