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159015-07-3

159015-07-3 | 2-Oxazolecarboxaldehyde, 4-methyl-

CAS No: 159015-07-3 Catalog No: AG001QF6 MDL No:MFCD10700246

Product Description

Catalog Number:
AG001QF6
Chemical Name:
2-Oxazolecarboxaldehyde, 4-methyl-
CAS Number:
159015-07-3
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD10700246
IUPAC Name:
4-methyl-1,3-oxazole-2-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
InChI Key:
WQFUYXRLSRTPKS-UHFFFAOYSA-N
SMILES:
Cc1coc(n1)C=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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