trans-2-(Trimethyl-1H-pyrazol-4-yl)oxolane-3-carboxylic Acid - CAS 1807939-18-9
Catalog: |
BB072658 |
Product Name: |
trans-2-(Trimethyl-1H-pyrazol-4-yl)oxolane-3-carboxylic Acid |
CAS: |
1807939-18-9 |
Synonyms: |
rac-(2R,3R)-2-(trimethyl-1H-pyrazol-4-yl)oxolane-3-carboxylic acid, trans; (2R,3R)-2-(1,3,5-Trimethylpyrazol-4-yl)oxolane-3-carboxylic acid; rac-(2R,3R)-2-(trimethyl-1H-pyrazol-4-yl)oxolane-3-carboxylic acid |
IUPAC Name: | (2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid |
Molecular Weight: | 224.25 |
Molecular Formula: | C11H16N2O3 |
Canonical SMILES: | CC1=C(C(=NN1C)C)C2C(CCO2)C(=O)O |
InChI: | InChI=1S/C11H16N2O3/c1-6-9(7(2)13(3)12-6)10-8(11(14)15)4-5-16-10/h8,10H,4-5H2,1-3H3,(H,14,15)/t8-,10-/m1/s1 |
InChI Key: | VOHQSEWJVVPGDD-PSASIEDQSA-N |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.11609238 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.11609238 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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