| CAS Number | 1215494-12-4 |
| Catalog Number | AG01FSBI(AGN-PC-3H6026) |
| Chemical Name | 4-(Azetidin-1-yl)benzoic acid |
| IUPAC Name | 4-(azetidin-1-yl)benzoic acid |
| InChI | InChI=1S/C10H11NO2/c12-10(13)8-2-4-9(5-3-8)11-6-1-7-11/h2-5H,1,6-7H2,(H,12,13) |
| InChI Key | TUFSMULVFRCJEX-UHFFFAOYSA-N |
| MDL Number | MFCD28358652 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | O=C(O)C1=CC=C(N2CCC2)C=C1 |
| Synonyms | 4-(azetidin-1-yl)benzoic acid,
1215494-12-4,
AK00739365,
4-(1-Azetidinyl)benzoic acid,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.078979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.2g/mol |
| Monoisotopic Mass | 177.078979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number