2-cyclopropylpropan-1-ol - CAS 6226-33-1
Catalog: |
BB073060 |
Product Name: |
2-cyclopropylpropan-1-ol |
CAS: |
6226-33-1 |
Synonyms: |
2-cyclopropylpropan-1-ol |
IUPAC Name: | 2-cyclopropylpropan-1-ol |
Description: | 2-cyclopropylpropan-1-ol is used as a reagent in the preparation of triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists. |
Molecular Weight: | 100.15 |
Molecular Formula: | C6H12O |
Canonical SMILES: | CC(CO)C1CC1 |
InChI: | InChI=1S/C6H12O/c1-5(4-7)6-2-3-6/h5-7H,2-4H2,1H3 |
InChI Key: | OVXXOYNXYWNSJE-UHFFFAOYSA-N |
References: | Shi, Y.; et al. U.S. Pat. Appl. Publ. 160 pp. (2019). |
Complexity: | 57.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 100.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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