| CAS Number | 5270-59-7 |
| Catalog Number | AG01B85N(AGN-PC-0JSQWK) |
| Chemical Name | 4-Oxotetrahydro-2H-pyran-2-carboxylic acid |
| IUPAC Name | 4-oxooxane-2-carboxylic acid |
| InChI | InChI=1S/C6H8O4/c7-4-1-2-10-5(3-4)6(8)9/h5H,1-3H2,(H,8,9) |
| InChI Key | BYCCHEBOFRPHMM-UHFFFAOYSA-N |
| MDL Number | MFCD19230050 |
| Molecular Formula | C6H8O4 |
| Molecular Weight | 144.1253 |
| SMILES | OC(C1OCCC(=O)C1)=O |
| Synonyms | 4-Oxotetrahydro-2H-pyran-2-carboxylic acid,
5270-59-7,
4-oxooxane-2-carboxylic acid,
BYCCHEBOFRPHMM-UHFFFAOYSA-N,
4-Oxotetrahydropyran-2-carboxylic acid,
AC1LB3WL,
tetrahydro-4-oxo-2H-Pyran-2-carboxylic acid,
4-pyrone-2-carboxylic acid,
SCHEMBL14169418,
FCH966650,
AKOS006387207,
4-Oxo-tetrahydro-pyran-2-carboxylic acid,
DA-18308,
4-Oxotetrahydro-4H-pyran-2-carboxylic acid,
AX8227034,
CS-0055059,
FT-0713775,
2H-Pyran-2-carboxylic acid,tetrahydro-4-oxo-,
4-Oxotetrahydro-2H-pyran-2-carboxylic acid #,
CID550907,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.126g/mol |
| Monoisotopic Mass | 144.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
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