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77311-07-0

77311-07-0 | 1-(Oxazol-2-yl)ethanone

CAS No: 77311-07-0 Catalog No: AG005CZA MDL No:MFCD07699282

Product Description

Catalog Number:
AG005CZA
Chemical Name:
1-(Oxazol-2-yl)ethanone
CAS Number:
77311-07-0
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD07699282
IUPAC Name:
1-(1,3-oxazol-2-yl)ethanone
InChI:
InChI=1S/C5H5NO2/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
InChI Key:
QCDUAXSWPGEYBB-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncco1

Properties

Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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