| CAS Number | 636-69-1 |
| Catalog Number | AG00EYND(AGN-PC-0KKHX4) |
| Chemical Name | 2-Hydroxyheptanoic acid |
| IUPAC Name | 2-hydroxyheptanoic acid |
| InChI | InChI=1S/C7H14O3/c1-2-3-4-5-6(8)7(9)10/h6,8H,2-5H2,1H3,(H,9,10) |
| InChI Key | RGMMREBHCYXQMA-UHFFFAOYSA-N |
| MDL Number | MFCD01111423 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| SMILES | CCCCCC(O)C(O)=O |
| Synonyms | 2-Hydroxyheptanoic acid,
636-69-1,
2-hydroxy enanthoic acid,
2-hydroxy-heptanoic acid,
Heptanoic acid, 2-hydroxy-,
AC1MBI1J,
SCHEMBL44151,
CHEBI:73752,
LMFA01050016,
AKOS004906205,
Z788000584,
FA(7:0(OH)),
C7-H14-O3,
ACN-041837,
CID2750949,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.186g/mol |
| Monoisotopic Mass | 146.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number