| CAS Number | 1554650-83-7 |
| Catalog Number | AG00ASH3(AGN-PC-0WOASF) |
| Chemical Name | 4-(Oxetan-3-yl)benzoic acid |
| IUPAC Name | 4-(oxetan-3-yl)benzoic acid |
| InChI | InChI=1S/C10H10O3/c11-10(12)8-3-1-7(2-4-8)9-5-13-6-9/h1-4,9H,5-6H2,(H,11,12) |
| InChI Key | ULDXRIXPOPDPMR-UHFFFAOYSA-N |
| MDL Number | MFCD26521371 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | O1CC(C1)C1=CC=C(C(=O)O)C=C1 |
| Synonyms | 4-(OXETAN-3-YL)BENZOIC ACID,
1554650-83-7,
4-Oxetan-3-yl-benzoic acid,
SCHEMBL12650247,
ULDXRIXPOPDPMR-UHFFFAOYSA-N,
MFCD26521371,
ZINC96028794,
AKOS023571064,
FCH2432303,
AS-42549,
OR312167,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number