Home Carboxys 5-Isopropyl-3-methylisoxazole-4-carboxylic acid

5-Isopropyl-3-methylisoxazole-4-carboxylic acid

CAS No.:
90087-36-8
Catalog Number:
AG00IG0Q
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$210
- +
1g
95%
1 week
United States
$470
- +
Product Description
Catalog Number:
AG00IG0Q
Chemical Name:
5-Isopropyl-3-methylisoxazole-4-carboxylic acid
CAS Number:
90087-36-8
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD06655598
IUPAC Name:
3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-4(2)7-6(8(10)11)5(3)9-12-7/h4H,1-3H3,(H,10,11)
InChI Key:
SOKXYOBQBBFXOE-UHFFFAOYSA-N
SMILES:
CC(c1onc(c1C(=O)O)C)C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties