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932-12-7 | 4-ethyl-5-methyl-1,2-oxazol-3-ol
CAS No: 932-12-7 Catalog No: AG01B9BD MDL No:MFCD30078051
Product Description
Catalog Number:
AG01B9BD
Chemical Name:
4-ethyl-5-methyl-1,2-oxazol-3-ol
CAS Number:
932-12-7
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD30078051
IUPAC Name:
4-ethyl-5-methyl-1,2-oxazol-3-one
InChI:
InChI=1S/C6H9NO2/c1-3-5-4(2)9-7-6(5)8/h3H2,1-2H3,(H,7,8)
InChI Key:
KXGZTAWPKXXEJT-UHFFFAOYSA-N
SMILES:
CCc1c(C)onc1O
Properties
Complexity:
172
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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