Home Carboxys 5-Isoxazolecarboxylicacid, 4-formyl-3-methyl-

5-Isoxazolecarboxylicacid, 4-formyl-3-methyl-

CAS No.:
256473-81-1
Catalog Number:
AG007MGA
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
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Product Description
Catalog Number:
AG007MGA
Chemical Name:
5-Isoxazolecarboxylicacid, 4-formyl-3-methyl-
CAS Number:
256473-81-1
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
MDL Number:
MFCD18821844
IUPAC Name:
4-formyl-3-methyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C6H5NO4/c1-3-4(2-8)5(6(9)10)11-7-3/h2H,1H3,(H,9,10)
InChI Key:
BFNONMTUKUIPNX-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)noc1C(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.022g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.109g/mol
Monoisotopic Mass:
155.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties