Basic information
- CAS
99901-05-0- Standard SMILES
O=C(CCN1CC1)Oc1ccccc1- InChIKey
SXGPVOIQHZYMAQ-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, phenyl ester
- IUPAC
- phenyl 3-(aziridin-1-yl)propanoate
Names & synonyms
1-AZIRIDINEPROPIONIC ACID, PHENYL ESTER1-Aziridinepropanoic acid, phenyl esterPropionic acid, 3-(1-aziridinyl)-, phenyl ester99901-05-0DTXSID00244306RefChem:227754DTXCID60166797phenyl 3-(aziridin-1-yl)propanoate
Database identifiers
- CAS
99901-05-0- PubChem CID
- 57573
- DTXSID
DTXSID00244306- Nikkaji
- J84.763A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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