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20328-15-8 | 4-Isoxazolecarboxylic acid, 3-methyl-, ethyl ester
CAS No: 20328-15-8 Catalog No: AG0028S2 MDL No:MFCD01075736
Product Description
Catalog Number:
AG0028S2
Chemical Name:
4-Isoxazolecarboxylic acid, 3-methyl-, ethyl ester
CAS Number:
20328-15-8
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD01075736
IUPAC Name:
ethyl 3-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-11-8-5(6)2/h4H,3H2,1-2H3
InChI Key:
AEWHICNMVQOWJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1conc1C
NSC Number:
250960
Properties
Complexity:
149
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:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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