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25991-27-9 | 2H-Pyran-3-carboxylic acid, 2-oxo-, methyl ester
CAS No: 25991-27-9 Catalog No: AG002RB5 MDL No:MFCD00075443
Product Description
Catalog Number:
AG002RB5
Chemical Name:
2H-Pyran-3-carboxylic acid, 2-oxo-, methyl ester
CAS Number:
25991-27-9
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
MDL Number:
MFCD00075443
IUPAC Name:
methyl 2-oxopyran-3-carboxylate
InChI:
InChI=1S/C7H6O4/c1-10-6(8)5-3-2-4-11-7(5)9/h2-4H,1H3
InChI Key:
GJVZWOMUTYNUCE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccoc1=O
EC Number:
247-397-9
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones. | Organic letters 20101203 |
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