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Home > Aldehydes > 159015-06-2
159015-06-2 | 4-Methyloxazole-5-carbaldehyde
CAS No: 159015-06-2 Catalog No: AG001QF7 MDL No:MFCD10700248
Product Description
Catalog Number:
AG001QF7
Chemical Name:
4-Methyloxazole-5-carbaldehyde
CAS Number:
159015-06-2
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD10700248
IUPAC Name:
4-methyl-1,3-oxazole-5-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
InChI Key:
ANPKYBKHXNFMFD-UHFFFAOYSA-N
SMILES:
Cc1ncoc1C=O
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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