| CAS Number | 63618-03-1 |
| Catalog Number | AG00EOXY(AGN-PC-0HZX4N) |
| Chemical Name | 3-Benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid |
| IUPAC Name | 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid |
| InChI | InChI=1S/C13H15NO2/c15-12(16)13-6-11(13)8-14(9-13)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16) |
| InChI Key | COCNBXQWBCBUHL-UHFFFAOYSA-N |
| MDL Number | MFCD09608016 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | O=C(C12CN(CC3=CC=CC=C3)CC1C2)O |
| Synonyms | 3-Benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid,
63618-03-1,
SCHEMBL4487651,
CTK1I6272,
DTXSID50577252,
COCNBXQWBCBUHL-UHFFFAOYSA-N,
MFCD09608016,
AKOS015966284,
PB23645,
QC-5118,
KS-0000074L,
AS-50619,
AB0096015,
CS-0007690,
Q-2674,
3-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-(phenylmethyl)-,
3-Benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylicacid,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number