Basic information
- CAS
80687-31-6- Standard SMILES
O=NN(CCCl)C(=O)NC(CO)C(=O)O- InChIKey
UBIRLPHQVAUMTB-UHFFFAOYSA-N- Molecular formula
- C6H10ClN3O5
- Average molar mass
- 239.61 g/mol
- Monoisotopic mass
- 239.0308981
Names & identifiers
- Preferred name
- 2-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxypropanoic acid
- IUPAC
- 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxypropanoic acid
Names & synonyms
NSC356573NSC-356573
Database identifiers
- CAS
80687-31-6- PubChem CID
- 100178
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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