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L-Menthyl 2,2-Dihydroxyacetate

CAT: 0572-TRC-M219145-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M219145-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111969-64-3
Synonyms
2,2-Dihydroxyacetic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester; Dihydroxyacetic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester; [1R-(1alpha,2beta,5alpha)]-Dihydroxyacetic Acid 5-Methyl-2-(1-methylethyl)cyclohexyl Ester; 2,2-Dihydroxyacetic Acid (-)-Menthyl Ester
Hazard Statement
No Data Available
Smiles
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(O)O
Molecular Formula
C12H22O4
Molecular Weight
230.3
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2S-isopropyl-5R-methyl-1R-cyclohexyl 2,2-dihydroxyacetate
CAS Number111969-64-3
PubChem CID7373179
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
Molecular FormulaC12H22O4
Molecular Weight230.30
XLogP2.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity237
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(O)O)C(C)C
InChI
InChI=1S/C12H22O4/c1-7(2)9-5-4-8(3)6-10(9)16-12(15)11(13)14/h7-11,13-14H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey
BWZMJRSMHQDFIT-KXUCPTDWSA-N
Chemical Structure
2D Structure
2D structure of 2S-isopropyl-5R-methyl-1R-cyclohexyl 2,2-dihydroxyacetate
CAS: 111969-64-3
CID: 7373179
Formula: C12H22O4
MW: 230.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass230.15180918
Monoisotopic Mass230.15180918
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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sc-206564(2R,5S) -L-Menthyl-5- (acetyloxy) -1,3-oxathiolane-2-carboxylate
272507-01(1S,2R) -3,3-Dimethoxy-1,2-cyclobutanedicarboxylic acid di-L-menthyl ester
abx180207-012-(4-Pyridyl)-4-Hydroxy-6-Menthyl Pyrimidine
sc-300956(-) -Menthyl (S) -1-[ (R) -α-methylbenzyl]aziridine-2-carboxylate
sc-300955(-) -Menthyl (R) -1-[ (R) -α-methylbenzyl]aziridine-2-carboxylate
sc-209411(2R,5S) -L-Menthyl-5- (4-amino-2-oxo-1 (2H) -pyrimidinyl) -1,3-oxathiolane-2-carboxylate
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