Home Carboxys Methyl 5-formylisoxazole-3-carboxylate

Methyl 5-formylisoxazole-3-carboxylate

CAS No.:
22667-21-6
Catalog Number:
AG006X1G
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
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Product Description
Catalog Number:
AG006X1G
Chemical Name:
Methyl 5-formylisoxazole-3-carboxylate
CAS Number:
22667-21-6
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
MDL Number:
MFCD11656600
IUPAC Name:
methyl 5-formyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C6H5NO4/c1-10-6(9)5-2-4(3-8)11-7-5/h2-3H,1H3
InChI Key:
RSOKVJLXFFQLLB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(on1)C=O
Properties
Complexity:
170  
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:
0
Isotope Atom Count:
0
Molecular Weight:
155.109g/mol
Monoisotopic Mass:
155.022g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties