| CAS Number | 25400-54-8 |
| Catalog Number | AG01BD8C(AGN-PC-0R168O) |
| Chemical Name | 3-Cyclohexyl-2-hydroxypropanoic acid |
| EC Number | 812-501-9 |
| IUPAC Name | 3-cyclohexyl-2-hydroxypropanoic acid |
| InChI | InChI=1S/C9H16O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8,10H,1-6H2,(H,11,12) |
| InChI Key | WMHUKKRNWMPXKB-UHFFFAOYSA-N |
| MDL Number | MFCD29047154 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | C1(CCCCC1)CC(C(=O)O)O |
| Synonyms | 3-cyclohexyl-2-hydroxypropanoic acid,
25400-54-8,
(R)-a-Hydroxy-cyclohexanepropanoic acid,
(S)-a-Hydroxy-cyclohexanepropanoic acid,
156469-00-0,
62377-41-7,
SCHEMBL2164847,
WMHUKKRNWMPXKB-UHFFFAOYSA-N,
2-hydroxy-3-cyclohexylpropionic acid,
3-Cyclohexyl-2-hydroxypropionic acid,
3-cyclohexyl-2-hydroxy-propionic acid,
AKOS014316186,
MCULE-9641279057,
NE47056,
DA-07646,
FT-0746396,
Z1836338785,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number