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127020-20-6 | Isoxazole, 3-ethoxy-5-methyl-
CAS No: 127020-20-6 Catalog No: AG000WK7 MDL No:MFCD22493414
Product Description
Catalog Number:
AG000WK7
Chemical Name:
Isoxazole, 3-ethoxy-5-methyl-
CAS Number:
127020-20-6
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD22493414
IUPAC Name:
3-ethoxy-5-methyl-1,2-oxazole
InChI:
InChI=1S/C6H9NO2/c1-3-8-6-4-5(2)9-7-6/h4H,3H2,1-2H3
InChI Key:
HRISCQMXUCORQZ-UHFFFAOYSA-N
SMILES:
CCOc1noc(c1)C
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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