Ethyl 6-Hydroxy-1-cyclohexenecarboxylate - CAS 28469-52-5
Catalog: |
BB065404 |
Product Name: |
Ethyl 6-Hydroxy-1-cyclohexenecarboxylate |
CAS: |
28469-52-5 |
Synonyms: |
Ethyl 6-hydroxycyclohex-1-enecarboxylate; Ethyl 6-hydroxycyclohex-1-ene-1-carboxylate; 6-hydroxy-cyclohex-1-enecarboxylic acid ethyl ester; Ethyl 6-hydroxycyclohexene-1-carboxylate; Ethyl6-hydroxycyclohex-1-enecarboxylate; ethyl 6-hydroxy-1-cyclohexene-1-carboxylate |
IUPAC Name: | ethyl 6-hydroxycyclohexene-1-carboxylate |
Molecular Weight: | 170.21 |
Molecular Formula: | C9H14O3 |
Canonical SMILES: | CCOC(=O)C1=CCCCC1O |
InChI: | InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h5,8,10H,2-4,6H2,1H3 |
InChI Key: | UBESRLLLKNDABE-UHFFFAOYSA-N |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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