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82669-58-7 | 5-ISOXAZOLEACETIC ACID ETHYL ESTER
CAS No: 82669-58-7 Catalog No: AG004WWB MDL No:
Product Description
Catalog Number:
AG004WWB
Chemical Name:
5-ISOXAZOLEACETIC ACID ETHYL ESTER
CAS Number:
82669-58-7
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
ethyl 2-(1,2-oxazol-5-yl)acetate
InChI:
InChI=1S/C7H9NO3/c1-2-10-7(9)5-6-3-4-8-11-6/h3-4H,2,5H2,1H3
InChI Key:
FHBYQZTXGQKADA-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccno1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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