Home Carboxys Methyl 4-acetyl-5-methylisoxazole-3-carboxylate

Methyl 4-acetyl-5-methylisoxazole-3-carboxylate

CAS No.:
104149-61-3
Catalog Number:
AG007WEE
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
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Product Description
Catalog Number:
AG007WEE
Chemical Name:
Methyl 4-acetyl-5-methylisoxazole-3-carboxylate
CAS Number:
104149-61-3
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD00068116
IUPAC Name:
methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C8H9NO4/c1-4(10)6-5(2)13-9-7(6)8(11)12-3/h1-3H3
InChI Key:
PSCGIMFQGZJVFT-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1C(=O)C)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties