| CAS Number | 21531-45-3 |
| Catalog Number | AG00IL20(AGN-PC-0O7VEU) |
| Chemical Name | Cyclohexanecarboxylic acid, 3-hydroxy-, cis- |
| IUPAC Name | (1S,3R)-3-hydroxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m0/s1 |
| InChI Key | JBZDHFKPEDWWJC-NTSWFWBYSA-N |
| MDL Number | MFCD19228643 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | O[C@H]1C[C@H](CCC1)C(=O)O |
| Synonyms | (1s,3r)-3-hydroxycyclohexane-1-carboxylic acid,
21531-45-3,
SCHEMBL2844280,
CHEMBL4088213,
JBZDHFKPEDWWJC-NTSWFWBYSA-N,
ZINC13545909,
AKOS006379010,
cis-3-hydroxycyclohexanecarboxylic acid,
AJ-64142,
AS-54186,
CS-0053564,
Cyclohexanecarboxylic acid, 3-hydroxy-, cis-,
racemic cis-3-hydroxycyclohexanecarboxylic acid,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number