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20780-53-4

20780-53-4 | Oxirane, 2-phenyl-, (2R)-

CAS No: 20780-53-4 Catalog No: AG002JAU MDL No:MFCD00063769

Product Description

Catalog Number:
AG002JAU
Chemical Name:
Oxirane, 2-phenyl-, (2R)-
CAS Number:
20780-53-4
Molecular Formula:
C8H8O
Molecular Weight:
120.1485
MDL Number:
MFCD00063769
IUPAC Name:
(2R)-2-phenyloxirane
InChI:
InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1
InChI Key:
AWMVMTVKBNGEAK-QMMMGPOBSA-N
SMILES:
O1C[C@H]1c1ccccc1
UNII:
0HB27D5MRW

Properties

Complexity:
94.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
120.058g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.151g/mol
Monoisotopic Mass:
120.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
The docking of chiral epoxides on the Whelk-O1 stationary phase: a molecular dynamics study. Journal of chromatography. A 20070518
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Characterization of the gene cluster involved in isoprene metabolism in Rhodococcus sp. strain AD45. Journal of bacteriology 20000401

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