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Methyl 3-tert-butylisoxazole-5-carboxylate

CAS No.:
133674-39-2
Catalog Number:
AG0080BL
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$125
- +
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0080BL
Chemical Name:
Methyl 3-tert-butylisoxazole-5-carboxylate
CAS Number:
133674-39-2
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
MDL Number:
MFCD08752835
IUPAC Name:
methyl 3-tert-butyl-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-9(2,3)7-5-6(13-10-7)8(11)12-4/h5H,1-4H3
InChI Key:
FFPAIQCUBUFABI-UHFFFAOYSA-N
SMILES:
COC(=O)c1onc(c1)C(C)(C)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties