| CAS Number | 852218-15-6 |
| Catalog Number | AG019O09 |
| Chemical Name | [4-(1,3-Dithiolan-2-yl)phenoxy]acetic acid |
| IUPAC Name | 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetic acid |
| InChI | InChI=1S/C11H12O3S2/c12-10(13)7-14-9-3-1-8(2-4-9)11-15-5-6-16-11/h1-4,11H,5-7H2,(H,12,13) |
| InChI Key | LQUMXSSIHJIHOE-UHFFFAOYSA-N |
| MDL Number | MFCD06655307 |
| Molecular Formula | C11H12O3S2 |
| Molecular Weight | 256.3412 |
| SMILES | OC(COC1=CC=C(C2SCCS2)C=C1)=O |
| Synonyms | 2-[4-(1,3-dithiolan-2-yl)phenoxy]acetic Acid,
852218-15-6,
[4-(1,3-dithiolan-2-yl)phenoxy]acetic acid,
AC1NLPQL,
AC1Q765X,
CTK8F2472,
ZINC4205182,
AKOS008987619,
MCULE-7607445475,
NE58034,
EN300-12349,
AB00731919-01,
SR-01000066324,
SR-01000066324-1,
Z85922878,
CID4961854,
Acetic acid, 2-[4-(1,3-dithiolan-2-yl)phenoxy],
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.334g/mol |
| Monoisotopic Mass | 256.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number