CAS 121-39-1 | Ethyl 3-phenyloxirane-2-carboxylate | CAS Number 121-39-1

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121-39-1 | Ethyl 3-phenyloxirane-2-carboxylate

CAS No: 121-39-1 Catalog No: AG003Q8L MDL No:MFCD00005123

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.214g/mol

Monoisotopic Mass:

192.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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