Chroman-2-Carboxylic Acid Ethyl Ester - CAS 24698-77-9
Catalog: |
BB053799 |
Product Name: |
Chroman-2-Carboxylic Acid Ethyl Ester |
CAS: |
24698-77-9 |
Synonyms: |
Ethyl chroman-2-carboxylate |
IUPAC Name: | ethyl 3,4-dihydro-2H-chromene-2-carboxylate |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | CCOC(=O)C1CCC2=CC=CC=C2O1 |
InChI: | InChI=1S/C12H14O3/c1-2-14-12(13)11-8-7-9-5-3-4-6-10(9)15-11/h3-6,11H,2,7-8H2,1H3 |
InChI Key: | PSOZUQKKUGXCEN-UHFFFAOYSA-N |
Boiling Point: | 299.9±29.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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