| CAS Number | 887595-98-4 |
| Catalog Number | AG004BI7(AGN-PC-0FQA7V) |
| Chemical Name | 1-(4-Nitrophenyl)azetidine-3-carboxylic acid |
| IUPAC Name | 1-(4-nitrophenyl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C10H10N2O4/c13-10(14)7-5-11(6-7)8-1-3-9(4-2-8)12(15)16/h1-4,7H,5-6H2,(H,13,14) |
| InChI Key | RACDUYKKXZNEMY-UHFFFAOYSA-N |
| MDL Number | MFCD07787209 |
| Molecular Formula | C10H10N2O4 |
| Molecular Weight | 222.1974 |
| SMILES | O=C(C1CN(C1)C1C=CC(=CC=1)[N+](=O)[O-])O |
| Synonyms | 1-(4-Nitrophenyl)azetidine-3-carboxylic acid,
887595-98-4,
ACMC-209qxa,
CTK8B2581,
DTXSID30734745,
ANW-39164,
KM2756,
MFCD07787209,
ZINC70569442,
AKOS013581055,
SC-43546,
AJ-117370,
AX8229914,
TC-127909,
ST24021121,
V8715,
1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID,
C10H10N2O4,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.2g/mol |
| Monoisotopic Mass | 222.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number