2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate - CAS 37503-42-7
Catalog: |
BB054118 |
Product Name: |
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate |
CAS: |
37503-42-7 |
Synonyms: |
2-Hydroxyethyl 5-norbornene-2-carboxylate; Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-hydroxyethyl ester; 5-Norbornene-2-carboxylic acid-2'-hydroxy-ethyl ester |
IUPAC Name: | 2-hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate |
Molecular Weight: | 182.22 |
Molecular Formula: | C10H14O3 |
Canonical SMILES: | C1C2CC(C1C=C2)C(=O)OCCO |
InChI: | InChI=1S/C10H14O3/c11-3-4-13-10(12)9-6-7-1-2-8(9)5-7/h1-2,7-9,11H,3-6H2 |
InChI Key: | PHSXOZKMZYKHLY-UHFFFAOYSA-N |
Boiling Point: | 316.07°C at 760 mmHg |
Purity: | 95% |
Density: | 1.213 g/cm3 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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