Home Carboxys 3-cyclopentyl-1,2-oxazole-4-carboxylic acid

3-cyclopentyl-1,2-oxazole-4-carboxylic acid

CAS No.:
1368184-98-8
Catalog Number:
AG01BWI0
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG01BWI0
Chemical Name:
3-cyclopentyl-1,2-oxazole-4-carboxylic acid
CAS Number:
1368184-98-8
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD22064867
IUPAC Name:
3-cyclopentyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C9H11NO3/c11-9(12)7-5-13-10-8(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChI Key:
NNBFGEVNXANMDE-UHFFFAOYSA-N
SMILES:
OC(=O)c1conc1C1CCCC1
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties