2-Oxaspiro[3.3]heptane-6-carboxylic acid - CAS 889944-54-1
Catalog: |
BB054540 |
Product Name: |
2-Oxaspiro[3.3]heptane-6-carboxylic acid |
CAS: |
889944-54-1 |
Synonyms: |
2-Oxaspiro[3.3]heptane-6-carboxylicacid |
IUPAC Name: | 2-oxaspiro[3.3]heptane-6-carboxylic acid |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | C1C(CC12COC2)C(=O)O |
InChI: | InChI=1S/C7H10O3/c8-6(9)5-1-7(2-5)3-10-4-7/h5H,1-4H2,(H,8,9) |
InChI Key: | ZWRRDOVWTVEVRS-UHFFFAOYSA-N |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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