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33545-41-4 | Methyl 5-(furan-2-yl)isoxazole-3-carboxylate
CAS No: 33545-41-4 Catalog No: AG003RWC MDL No:MFCD03778977
Product Description
Catalog Number:
AG003RWC
Chemical Name:
Methyl 5-(furan-2-yl)isoxazole-3-carboxylate
CAS Number:
33545-41-4
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD03778977
IUPAC Name:
methyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C9H7NO4/c1-12-9(11)6-5-8(14-10-6)7-3-2-4-13-7/h2-5H,1H3
InChI Key:
VTEZSUGFQUZAQW-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1)c1ccco1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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