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69062-86-8 | 2,4-Dimethyloxazole-5-carbaldehyde
CAS No: 69062-86-8 Catalog No: AG005LS3 MDL No:MFCD06738688
Product Description
Catalog Number:
AG005LS3
Chemical Name:
2,4-Dimethyloxazole-5-carbaldehyde
CAS Number:
69062-86-8
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD06738688
IUPAC Name:
2,4-dimethyl-1,3-oxazole-5-carbaldehyde
InChI:
InChI=1S/C6H7NO2/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
InChI Key:
OPTYBWVHZBYRGJ-UHFFFAOYSA-N
SMILES:
O=Cc1oc(nc1C)C
Properties
Complexity:
116
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:
0.9
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