| CAS Number | 1122-09-4 |
| Catalog Number | AG00835I(AGN-PC-0JQAEX) |
| Chemical Name | 3-Azabicyclo[3.2.0]heptane-2,4-dione |
| IUPAC Name | 3-azabicyclo[3.2.0]heptane-2,4-dione |
| InChI | InChI=1S/C6H7NO2/c8-5-3-1-2-4(3)6(9)7-5/h3-4H,1-2H2,(H,7,8,9) |
| InChI Key | WXTZWJOCJKKBJR-UHFFFAOYSA-N |
| MDL Number | MFCD12827834 |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.1253 |
| NSC Number | 527272 |
| SMILES | O=C1C2C(CC2)C(=O)N1 |
| Synonyms | 3-azabicyclo[3.2.0]heptane-2,4-dione,
1122-09-4,
NSC527272,
AC1L70QL,
1,2-Cyclobutanedicarboximide,
SCHEMBL9063012,
CTK0H9711,
DTXSID10326364,
AKOS015840951,
MCULE-1560579688,
NSC-527272,
TR-002390,
CS-0047664,
J-500366,
I14-27444,
CID352625,
(1R,5S)-3-azabicyclo[3.2.0]heptane-2,4-dione,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.127g/mol |
| Monoisotopic Mass | 125.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H302-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P264-P270-P280-P301+P312-P305+P351+P338-P310-P330-P501
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number