Home Carboxys 3-(propan-2-yl)-1,2-oxazole-4-carboxylic acid

3-(propan-2-yl)-1,2-oxazole-4-carboxylic acid

CAS No.:
1368177-31-4
Catalog Number:
AG01BVQ5
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
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Product Description
Catalog Number:
AG01BVQ5
Chemical Name:
3-(propan-2-yl)-1,2-oxazole-4-carboxylic acid
CAS Number:
1368177-31-4
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD22069747
IUPAC Name:
3-propan-2-yl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c1-4(2)6-5(7(9)10)3-11-8-6/h3-4H,1-2H3,(H,9,10)
InChI Key:
HYQNYEYWCMGWPW-UHFFFAOYSA-N
SMILES:
CC(c1nocc1C(=O)O)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties