3,4-dihydro-1H-2-benzopyran-6-carboxylic acid - CAS 933726-72-8
Catalog: |
BB067375 |
Product Name: |
3,4-dihydro-1H-2-benzopyran-6-carboxylic acid |
CAS: |
933726-72-8 |
Synonyms: |
3,4-dihydro-1H-2-benzopyran-6-carboxylic acid; 3,4-dihydro-1H-isochromene-6-carboxylic acid; 3,4-dihydro-1H-2-benzopyran-6-carboxylicacid |
IUPAC Name: | 3,4-dihydro-1H-isochromene-6-carboxylic acid |
Description: | 3,4-dihydro-1H-2-benzopyran-6-carboxylic acid (cas# 933726-72-8) is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | C1COCC2=C1C=C(C=C2)C(=O)O |
InChI: | InChI=1S/C10H10O3/c11-10(12)8-1-2-9-6-13-4-3-7(9)5-8/h1-2,5H,3-4,6H2,(H,11,12) |
InChI Key: | OKAXESAODCHISR-UHFFFAOYSA-N |
Melting Point: | >182°C (dec.) |
Solubility: | Chloroform (Slightly, Sonicated), Methanol (Slightly, Sonicated) |
Appearance: | Pale Yellow to Light Yellow Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 1.1 |
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