Methyl 6-Cyano-2-oxaspiro[3.3]heptane-6-carboxylate - CAS 1423033-43-5
Catalog: |
BB072768 |
Product Name: |
Methyl 6-Cyano-2-oxaspiro[3.3]heptane-6-carboxylate |
CAS: |
1423033-43-5 |
Synonyms: |
methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate |
IUPAC Name: | methyl 6-cyano-2-oxaspiro[3.3]heptane-6-carboxylate |
Description: | Methyl 6-Cyano-2-oxaspiro[3.3]heptane-6-carboxylate (CAS# 1423033-43-5) is a useful research chemical. |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | COC(=O)C1(CC2(C1)COC2)C#N |
InChI: | InChI=1S/C9H11NO3/c1-12-7(11)9(4-10)2-8(3-9)5-13-6-8/h2-3,5-6H2,1H3 |
InChI Key: | MINVJBSZZWVFIH-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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