| CAS Number | 90921-09-8 |
| Catalog Number | AG01DDVP |
| Chemical Name | 4-Oxochroman-7-Carboxylic Acid |
| IUPAC Name | 4-oxo-2,3-dihydrochromene-7-carboxylic acid |
| InChI | InChI=1S/C10H8O4/c11-8-3-4-14-9-5-6(10(12)13)1-2-7(8)9/h1-2,5H,3-4H2,(H,12,13) |
| InChI Key | UMDDDSGHXQOLKM-UHFFFAOYSA-N |
| MDL Number | MFCD18648339 |
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.1681 |
| SMILES | c1cc2c(cc1C(=O)O)OCCC2=O |
| Synonyms | 4-oxochroman-7-carboxylic acid,
90921-09-8,
4-Oxochromane-7-carboxylic acid,
SCHEMBL1533619,
MFCD18648339,
ZINC39596936,
AKOS006373328,
DA-01391,
FT-0765420,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.17g/mol |
| Monoisotopic Mass | 192.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number