6-Cyano-2-oxaspiro[3.3]heptane-6-carboxylic acid - CAS 1934971-05-7
Catalog: |
BB055526 |
Product Name: |
6-Cyano-2-oxaspiro[3.3]heptane-6-carboxylic acid |
CAS: |
1934971-05-7 |
Synonyms: |
6-cyano-2-oxaspiro[3.3]heptane-6-carboxylic acid |
IUPAC Name: | 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylic acid |
Description: | 6-Cyano-2-oxaspiro[3.3]heptane-6-carboxylic acid is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | C1C2(CC1(C#N)C(=O)O)COC2 |
InChI: | InChI=1S/C8H9NO3/c9-3-8(6(10)11)1-7(2-8)4-12-5-7/h1-2,4-5H2,(H,10,11) |
InChI Key: | ISPXFSHXLMDAKK-UHFFFAOYSA-N |
Melting Point: | >67°C (dec.) |
Solubility: | DMSO (Slightly), Water (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C, Hygroscopic |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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