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141679-59-6 | 4-Isoxazolecarboxylic acid, 1-methylethyl ester
CAS No: 141679-59-6 Catalog No: AG001GW0 MDL No:MFCD18835468
Product Description
Catalog Number:
AG001GW0
Chemical Name:
4-Isoxazolecarboxylic acid, 1-methylethyl ester
CAS Number:
141679-59-6
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD18835468
IUPAC Name:
propan-2-yl 1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C7H9NO3/c1-5(2)11-7(9)6-3-8-10-4-6/h3-5H,1-2H3
InChI Key:
DIATUEXOCSWGAD-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1conc1)C
Properties
Complexity:
147
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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