(R)-Chroman-2-carboxylic Acid - CAS 83780-47-6
Catalog: |
BB070471 |
Product Name: |
(R)-Chroman-2-carboxylic Acid |
CAS: |
83780-47-6 |
Synonyms: |
(2R)-3,4-Dihydro-2H-1-benzopyran-2-carboxylic Acid;(2R)-3,4-Dihydro-2H-1-benzopyran-2-carboxylic Acid;(2R)-3,4-Dihydro-2H-chromene-2-carboxylic Acid;(2R)-3,4-Dihydro-2H-chromene-2-carboxylic Acid;(2R)-Chroman-2-carboxylic Acid |
IUPAC Name: | (2R)-3,4-dihydro-2H-chromene-2-carboxylic acid |
Description: | (R)-Chroman-2-carboxylic Acid possess 5HT1D agonist activity and has therapeutic uses. |
Molecular Weight: | 178.19 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | C1CC2=CC=CC=C2OC1C(=O)O |
InChI: | InChI=1S/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)/t9-/m1/s1 |
InChI Key: | SFLFCQJQOIZMHF-SECBINFHSA-N |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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