| CAS Number | 18133-18-1 |
| Catalog Number | AG0022TW(AGN-PC-064XOA) |
| Chemical Name | 5-Oxo-1-phenylpyrrolidine-2-carboxylic acid |
| IUPAC Name | 5-oxo-1-phenylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C11H11NO3/c13-10-7-6-9(11(14)15)12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15) |
| InChI Key | JITXFZOGKNNXCT-UHFFFAOYSA-N |
| MDL Number | MFCD10004175 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | OC(C1N(C2=CC=CC=C2)C(=O)CC1)=O |
| Synonyms | 5-Oxo-1-phenylpyrrolidine-2-carboxylic acid,
18133-18-1,
AK158587,
5-OXO-1-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID,
5-Oxo-1-phenylproline,
SCHEMBL289664,
KS-00000SGY,
3295AJ,
MFCD10004175,
AKOS015948177,
DS-9375,
MCULE-3191216154,
NE64008,
AX8292326,
CS-0060551,
5-OXO-1-PHENYL-2-PYRROLIDINECARBOXYLIC ACID,
F2167-4406,
C11H11NO3,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number