Home Carboxys 3-methyl-6,7-dihydro-5H-cyclopenta[b]isoxazolo[4,5-e]pyridine-4-carboxylic acid

3-methyl-6,7-dihydro-5H-cyclopenta[b]isoxazolo[4,5-e]pyridine-4-carboxylic acid

CAS No.:
937657-94-8
Catalog Number:
AG00J28E
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
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Product Description
Catalog Number:
AG00J28E
Chemical Name:
3-methyl-6,7-dihydro-5H-cyclopenta[b]isoxazolo[4,5-e]pyridine-4-carboxylic acid
CAS Number:
937657-94-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD08754003
IUPAC Name:
6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c1-5-8-9(11(14)15)6-3-2-4-7(6)12-10(8)16-13-5/h2-4H2,1H3,(H,14,15)
InChI Key:
GEZDYTMRGICAFR-UHFFFAOYSA-N
SMILES:
OC(=O)c1c2CCCc2nc2c1c(C)no2
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties