tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate - CAS 154970-45-3
Catalog: |
BB011072 |
Product Name: |
tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate |
CAS: |
154970-45-3 |
Synonyms: |
2-bicyclo[2.2.1]hept-5-enecarboxylic acid tert-butyl ester; tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate |
IUPAC Name: | tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate |
Description: | tert-Butyl Bicyclo[2.2.1]-5-heptene-2-carboxylate (CAS# 154970-45-3) is a useful research chemical. |
Molecular Weight: | 194.27 |
Molecular Formula: | C12H18O2 |
Canonical SMILES: | CC(C)(C)OC(=O)C1CC2CC1C=C2 |
InChI: | InChI=1S/C12H18O2/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3 |
InChI Key: | BZBMBZJUNPMEBD-UHFFFAOYSA-N |
Boiling Point: | 243 °C |
Flash Point: | 92 °C |
Purity: | > 95.0 % (GC) |
Density: | 1.046 g/mL |
Appearance: | Colorless to almost colorless clear liquid |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD08704200 |
LogP: | 2.54030 |
Refractive Index: | 1.502 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.130679813 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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