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62254-74-4

62254-74-4 | 5-Methylisoxazole-3-carboxaldehyde

CAS No: 62254-74-4 Catalog No: AG0038L7 MDL No:MFCD06797459

Product Description

Catalog Number:
AG0038L7
Chemical Name:
5-Methylisoxazole-3-carboxaldehyde
CAS Number:
62254-74-4
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD06797459
IUPAC Name:
5-methyl-1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3
InChI Key:
OCOCVXUEFWNRJU-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)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:
0.3  

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