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81740-16-1 | 1-(2-methyloxazol-4-yl)ethanone
CAS No: 81740-16-1 Catalog No: AG00G8RG MDL No:MFCD22071533
Product Description
Catalog Number:
AG00G8RG
Chemical Name:
1-(2-methyloxazol-4-yl)ethanone
CAS Number:
81740-16-1
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD22071533
IUPAC Name:
1-(2-methyl-1,3-oxazol-4-yl)ethanone
InChI:
InChI=1S/C6H7NO2/c1-4(8)6-3-9-5(2)7-6/h3H,1-2H3
InChI Key:
ISOKAIBBJGQLEO-UHFFFAOYSA-N
SMILES:
Cc1occ(n1)C(=O)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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