Home Carboxys 4-Isoxazolecarboxylicacid,3-cyclopropyl-(9CI)

4-Isoxazolecarboxylicacid,3-cyclopropyl-(9CI)

CAS No.:
639523-17-4
Catalog Number:
AG00EZGG
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
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Product Description
Catalog Number:
AG00EZGG
Chemical Name:
4-Isoxazolecarboxylicacid,3-cyclopropyl-(9CI)
CAS Number:
639523-17-4
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD18820494
IUPAC Name:
3-cyclopropyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C7H7NO3/c9-7(10)5-3-11-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChI Key:
NJEPDWZYBJIKMD-UHFFFAOYSA-N
SMILES:
OC(=O)c1conc1C1CC1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties