Home Carboxys 4-(propan-2-yl)pyrimidine-5-carboxylic acid

4-(propan-2-yl)pyrimidine-5-carboxylic acid

CAS No.:
1147746-76-6
Catalog Number:
AG019V5J
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
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Product Description
Catalog Number:
AG019V5J
Chemical Name:
4-(propan-2-yl)pyrimidine-5-carboxylic acid
CAS Number:
1147746-76-6
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD12197024
IUPAC Name:
4-propan-2-ylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-5(2)7-6(8(11)12)3-9-4-10-7/h3-5H,1-2H3,(H,11,12)
InChI Key:
LKOMIQVTMTVECF-UHFFFAOYSA-N
SMILES:
CC(c1ncncc1C(=O)O)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties