| CAS Number | 70160-05-3 |
| Catalog Number | AG006BZZ(AGN-PC-0JP8FO) |
| Chemical Name | Pentanoic acid, 5-methoxy- |
| IUPAC Name | 5-methoxypentanoic acid |
| InChI | InChI=1S/C6H12O3/c1-9-5-3-2-4-6(7)8/h2-5H2,1H3,(H,7,8) |
| InChI Key | FECCQKBXUJUGSF-UHFFFAOYSA-N |
| MDL Number | MFCD09759048 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | COCCCCC(=O)O |
| Synonyms | 5-methoxypentanoic Acid,
70160-05-3,
Pentanoic acid, 5-methoxy-,
5-methoxy-pentanoic acid,
5-methoxyvaleric acid,
AC1Q4FNE,
AC1L63VR,
SCHEMBL188514,
CTK2G3108,
DTXSID50301433,
FECCQKBXUJUGSF-UHFFFAOYSA-N,
ZINC5606218,
AKOS008118452,
MCULE-1268596288,
NE14425,
EN300-59948,
Pentanoicacid,5-methoxy-,
CID285825,
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| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.159g/mol |
| Monoisotopic Mass | 132.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number