Home Carboxys 4,6-diethylpyrimidine-5-carboxylic acid

4,6-diethylpyrimidine-5-carboxylic acid

CAS No.:
1820685-04-8
Catalog Number:
AG01AMO5
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG01AMO5
Chemical Name:
4,6-diethylpyrimidine-5-carboxylic acid
CAS Number:
1820685-04-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD29033958
IUPAC Name:
4,6-diethylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-3-6-8(9(12)13)7(4-2)11-5-10-6/h5H,3-4H2,1-2H3,(H,12,13)
InChI Key:
JODHHUFUUMYGGO-UHFFFAOYSA-N
SMILES:
CCc1ncnc(c1C(=O)O)CC
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties