| CAS Number | 1260874-83-6 |
| Catalog Number | AG000RHM(AGN-PC-0FQA2N) |
| Chemical Name | 1-(2-Cyanophenyl)azetidine-3-carboxylic acid |
| IUPAC Name | 1-(2-cyanophenyl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2/c12-5-8-3-1-2-4-10(8)13-6-9(7-13)11(14)15/h1-4,9H,6-7H2,(H,14,15) |
| InChI Key | VZKGIBUJPUJLNV-UHFFFAOYSA-N |
| MDL Number | MFCD11037391 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | C(#N)C1=C(C=CC=C1)N1CC(C1)C(=O)O |
| Synonyms | 1-(2-Cyanophenyl)azetidine-3-carboxylic acid,
1260874-83-6,
ACMC-209b1h,
CTK8A9618,
DTXSID70734744,
ANW-18579,
MFCD11037391,
ZINC70569478,
AKOS013580861,
FCH5228861,
BBV-38744927,
TC-107324,
B-9374,
EN300-248306,
3-Azetidinecarboxylic acid, 1-(2-cyanophenyl)-,
Z2327226192,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number