| CAS Number | 189955-91-7 |
| Catalog Number | AG002E6D(AGN-PC-03N6DC) |
| Chemical Name | 2-(Pentan-3-yloxy)acetic acid |
| IUPAC Name | 2-pentan-3-yloxyacetic acid |
| InChI | InChI=1S/C7H14O3/c1-3-6(4-2)10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChI Key | PRWBVHWCYMYORG-UHFFFAOYSA-N |
| MDL Number | MFCD11520462 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| SMILES | CCC(OCC(O)=O)CC |
| Synonyms | 2-(pentan-3-yloxy)acetic acid,
189955-91-7,
2-(1-ethylpropoxy)acetic acid,
SCHEMBL6496314,
PRWBVHWCYMYORG-UHFFFAOYSA-N,
Acetic acid, 2-(1-ethylpropoxy)-,
MFCD11520462,
ZINC74938108,
AKOS006325798,
DA-08799,
FT-0764535,
K-5683,
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| Complexity | 97 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.186g/mol |
| Monoisotopic Mass | 146.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number