| CAS Number | 883536-39-8 |
| Catalog Number | AG00IF23(AGN-PC-0WRAB5) |
| Chemical Name | 3-(Oxolan-2-ylmethoxy)benzoic acid |
| IUPAC Name | 3-(oxolan-2-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C12H14O4/c13-12(14)9-3-1-4-10(7-9)16-8-11-5-2-6-15-11/h1,3-4,7,11H,2,5-6,8H2,(H,13,14) |
| InChI Key | PTDDXWIOXRBSEF-UHFFFAOYSA-N |
| MDL Number | MFCD06801287 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | OC(C1=CC(OCC2OCCC2)=CC=C1)=O |
| Synonyms | 3-(Oxolan-2-ylmethoxy)benzoic acid,
883536-39-8,
3-(tetrahydrofuran-2-ylmethoxy)benzoic acid,
AC1Q733T,
CTK7I8735,
KM2603,
MFCD06801287,
AKOS000117961,
AKOS016892669,
MCULE-6455044714,
NCGC00320525-01,
EN300-27597,
AB01138565-03,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number