cis-3-Acetoxy-6-chlorocyclohexene - CAS 82736-39-8
Catalog: |
BB055021 |
Product Name: |
cis-3-Acetoxy-6-chlorocyclohexene |
CAS: |
82736-39-8 |
Synonyms: |
(1R,4S)-4-Chlorocyclohex-2-en-1-yl acetate;(1R, 4S) - rel-4- Chloro- 1- acetate-2- cyclohexen- 1- ol;cis-1-Acetoxy-4-chloro-2-cyclohexene |
IUPAC Name: | acetic acid(1S,4R)-4-chlorocyclohex-2-en-1-ol |
Molecular Weight: | 174.62 |
Molecular Formula: | C8H11ClO2 |
Canonical SMILES: | CC(=O)O.C1CC(C=CC1O)Cl |
InChI: | InChI=1S/C6H9ClO.C2H4O2/c7-5-1-3-6(8)4-2-51-2(3)4/h1,3,5-6,8H,2,4H21H3,(H,3,4)/t5-,6+/m0./s1 |
InChI Key: | KIHLISCJPVOTJW-RIHPBJNCSA-N |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.055322 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.055322 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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