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173850-41-4 | 5-Isoxazolecarboxylic acid, ethyl ester
CAS No: 173850-41-4 Catalog No: AG001Z85 MDL No:MFCD18830699
Product Description
Catalog Number:
AG001Z85
Chemical Name:
5-Isoxazolecarboxylic acid, ethyl ester
CAS Number:
173850-41-4
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD18830699
IUPAC Name:
ethyl 1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-4-7-10-5/h3-4H,2H2,1H3
InChI Key:
JOWMDIFULFYASV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccno1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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