2,2-Dimethylchroman-8-carboxylic Acid - CAS 82553-56-8
Catalog: |
BB066808 |
Product Name: |
2,2-Dimethylchroman-8-carboxylic Acid |
CAS: |
82553-56-8 |
Synonyms: |
3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-8-carboxylic acid; 2,2-Dimethyl-3,4-dihydro-2H-chromene-8-carboxylic acid |
IUPAC Name: | 2,2-dimethyl-3,4-dihydrochromene-8-carboxylic acid |
Description: | 2,2-Dimethylchroman-8-carboxylic Acid is a useful chemical reagent. |
Molecular Weight: | 206.24 |
Molecular Formula: | C12H14O3 |
Canonical SMILES: | CC1(CCC2=C(O1)C(=CC=C2)C(=O)O)C |
InChI: | InChI=1S/C12H14O3/c1-12(2)7-6-8-4-3-5-9(11(13)14)10(8)15-12/h3-5H,6-7H2,1-2H3,(H,13,14) |
InChI Key: | CNNKZSZUCRDOIA-UHFFFAOYSA-N |
Complexity: | 260 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.094294304 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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