| CAS Number | 14668-76-9 |
| Catalog Number | AG00J7VG(AGN-PC-0WO2AI) |
| Chemical Name | 7-Oxoazepane-2-carboxylic acid |
| IUPAC Name | 7-oxoazepane-2-carboxylic acid |
| InChI | InChI=1S/C7H11NO3/c9-6-4-2-1-3-5(8-6)7(10)11/h5H,1-4H2,(H,8,9)(H,10,11) |
| InChI Key | PKCIDMQPMJHMGR-UHFFFAOYSA-N |
| MDL Number | MFCD19382163 |
| Molecular Formula | C7H11NO3 |
| Molecular Weight | 157.1671 |
| SMILES | OC(C1NC(=O)CCCC1)=O |
| Synonyms | 7-oxoazepane-2-carboxylic acid,
14668-76-9,
SCHEMBL6501628,
AKOS021982995,
NE20493,
NCGC00456096-01,
7-Oxohexahydro-1H-azepine-2-carboxylic acid,
EN300-80083,
F8880-3827,
Z1925930040,
7-oxo-azepane-2-carboxylic acid,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.169g/mol |
| Monoisotopic Mass | 157.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number