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CAS Number: 17449-76-2
methyl 4-hydroxycyclohexanecarboxylate

Structure

 methyl 4-hydroxycyclohexanecarboxylate
Name: methyl 4-hydroxycyclohexanecarboxylate
Synonyms:
General Information
Product Number: 17449762
CAS Registry Number: 17449-76-2
Name:
Cyclohexanecarboxyli​c acid, 4-​hydroxy-​, methyl ester
4-​Hydroxycyclohexaneca​rboxylic acid methyl ester; Methyl 4-​hydroxycyclohexaneca​rboxylate 
 
Chemical Formula: C8H14O3
Exact Mass: 158.09
Molecular Weight: 158.19
m/z: 158.09 (100.0%), 159.10 (8.9%)
Elemental Analysis: C, 60.74; H, 8.92; O, 30.34
 
InChI: InChI=1S/C8H14O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7,9H,2-5H2,1H3
InChIKey: HYDYVXROZHFTGB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1CCC(CC1)O
 
Thermal Properties Value Condition Note
Boiling Point 80-100 °C Press: 1 Torr (1)IC
Boiling Point 80-100 °C Press: 1 Torr (2)IC

Specification

98%
References
  1. (1) Cregge, Robert J.; US 4748274 A 1988 CAPLUS
  2. (2) Cregge, Robert J.; Journal of Organic Chemistry 1991, V56(5), P1758-63 CAPLUS
  3. (3) Ledford, N. Dale; Organic Preparations and Procedures International 1987, V19(2-3), P209-14 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Kitbunnadaj, Ruengwit; Bioorganic & Medicinal Chemistry 2005, V13(23), P6309-6323 CAPLUS
  6. (6) Wang, Da-Wei; Tetrahedron Letters 2009, V50(12), P1282-1285 CAPLUS
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