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30842-91-2 | Isoxazole, 5-ethyl-
CAS No: 30842-91-2 Catalog No: AG0031H7 MDL No:MFCD25459409
Product Description
Catalog Number:
AG0031H7
Chemical Name:
Isoxazole, 5-ethyl-
CAS Number:
30842-91-2
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD25459409
IUPAC Name:
5-ethyl-1,2-oxazole
InChI:
InChI=1S/C5H7NO/c1-2-5-3-4-6-7-5/h3-4H,2H2,1H3
InChI Key:
UTHNXNFIWJXWCI-UHFFFAOYSA-N
SMILES:
CCc1ccno1
Properties
Complexity:
56
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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