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Ethyl 3-phenyloxirane-2-carboxylate

CAS No.:
121-39-1
Catalog Number:
AG003Q8L
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>90.0%(GC)
1 week
United States
$64
- +
Product Description
Catalog Number:
AG003Q8L
Chemical Name:
Ethyl 3-phenyloxirane-2-carboxylate
CAS Number:
121-39-1
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00005123
IUPAC Name:
ethyl 3-phenyloxirane-2-carboxylate
InChI:
InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChI Key:
GOMAKLPNAAZVCJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1OC1c1ccccc1
EC Number:
204-467-3
NSC Number:
8899
FEMA Number:
2454
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
The cap'n'collar transcription factor Nrf2 mediates both intrinsic resistance to environmental stressors and an adaptive response elicited by chemopreventive agents that determines susceptibility to electrophilic xenobiotics. Chemico-biological interactions 20110630
Epoxide hydrolase-catalyzed resolution of ethyl 3-phenylglycidate using whole cells of Pseudomonas sp. Biotechnology letters 20031201
Properties