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5657-52-3 | 1H,3H-furo[3,4-c]pyridin-3-one
CAS No: 5657-52-3 Catalog No: AG01C16C MDL No:MFCD00209978
Product Description
Catalog Number:
AG01C16C
Chemical Name:
1H,3H-furo[3,4-c]pyridin-3-one
CAS Number:
5657-52-3
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD00209978
IUPAC Name:
1H-furo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C7H5NO2/c9-7-6-3-8-2-1-5(6)4-10-7/h1-3H,4H2
InChI Key:
QAUIZSWZXQFEJL-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1cncc2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Ethyl 4-hydroxy-methyl-2-methyl-pyridine-5-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20080501 |
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