Home Carboxys Ethyl 5-formylisoxazole-3-carboxylate

Ethyl 5-formylisoxazole-3-carboxylate

CAS No.:
22667-24-9
Catalog Number:
AG00BJ14
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
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Product Description
Catalog Number:
AG00BJ14
Chemical Name:
Ethyl 5-formylisoxazole-3-carboxylate
CAS Number:
22667-24-9
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD11052378
IUPAC Name:
ethyl 5-formyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C7H7NO4/c1-2-11-7(10)6-3-5(4-9)12-8-6/h3-4H,2H2,1H3
InChI Key:
AGGPRSBKBRLUMV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(on1)C=O
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties