7-Hydroxychromane-2-carboxylic Acid - CAS 944904-28-3
Catalog: |
BB056219 |
Product Name: |
7-Hydroxychromane-2-carboxylic Acid |
CAS: |
944904-28-3 |
Synonyms: |
3,4-Dihydro-7-hydroxy-2H-1-benzopyran-2-carboxylic Acid |
IUPAC Name: | 7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid |
Description: | 7-Hydroxychromane-2-carboxylic acid is used in the preparation of 7- aryloxy- chroman- 2- carboxamides with NF- κB inhibitory activities. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | C1CC2=C(C=C(C=C2)O)OC1C(=O)O |
InChI: | InChI=1S/C10H10O4/c11-7-3-1-6-2-4-8(10(12)13)14-9(6)5-7/h1,3,5,8,11H,2,4H2,(H,12,13) |
InChI Key: | NONJZGQBLPTNTD-UHFFFAOYSA-N |
References: | Choi, E. H., et al. Yakhak Hoechi, 54, 200 (2010). |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0579088 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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