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2-[(5R)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetic acid
1. Names and Identifiers
- 1.1 Name
- 2-[(5R)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetic acid
- 1.2 Synonyms
- [(5R)-6-oxo-1,7-diazaspiro[4.4]non-7-yl]acetic acid; 1,7-Diazaspiro[4.4]nonane-7-acetic acid, 6-oxo-, (5R)-; 1,7-Diazaspiro[4.4]nonane-7acetic acid,6-oxo-,(5R)-; ZINC95936763;
- 1.3 CAS No.
- 894786-71-1
- 1.4 CID
- 73013462
- 1.5 Molecular Formula
- C9H14N2O3
- 1.6 Inchi
- InChI=1S/C9H14N2O3/c12-7(13)6-11-5-3-9(8(11)14)2-1-4-10-9/h10H,1-6H2,(H,12,13)/t9-/m1/s1
- 1.7 InChkey
- LOQKVBLRVCSOQF-SECBINFHSA-N
- 1.8 Canonical Smiles
- C1CC2(CCN(C2=O)CC(=O)O)NC1
- 1.9 Isomers Smiles
- C1C[C@]2(CCN(C2=O)CC(=O)O)NC1
2. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
3. Computed Properties
- Molecular Weight：198.22g/mol
- Molecular Formula：C9H14N2O3
- Compound Is Canonicalized：True
- Exact Mass：-2.9
- XLogP3-AA：198.10044231
- Monoisotopic Mass：198.10044231
- Complexity：279
- Rotatable Bond Count：2
- Hydrogen Bond Donor Count：2
- Hydrogen Bond Acceptor Count：4
- Topological Polar Surface Area：69.6
- Heavy Atom Count：：14
- Defined Atom Stereocenter Count：1
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADccBzMAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAAAAAAHgAQCAAADIjBgAQACAPAAgAIAAGQGAAAAAAAAAAAAIGIAAACQBIAwCAUAAAAFgCQAAEcAQAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Realated Product Infomation
EN![2-[(5R)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]acetic acid structure](https://structimg.guidechem.com/4/4/1132263.png)
