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885273-54-1

885273-54-1 | 3-(m-Tolyl)isoxazole-5-carbaldehyde

CAS No: 885273-54-1 Catalog No: AG0047MI MDL No:MFCD06738507

Product Description

Catalog Number:
AG0047MI
Chemical Name:
3-(m-Tolyl)isoxazole-5-carbaldehyde
CAS Number:
885273-54-1
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD06738507
IUPAC Name:
3-(3-methylphenyl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C11H9NO2/c1-8-3-2-4-9(5-8)11-6-10(7-13)14-12-11/h2-7H,1H3
InChI Key:
DXQBKEWQAXECRX-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)c1cccc(c1)C

Properties

Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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