Home Carboxys 4-methoxy-2-methylpyrimidine-5-carboxylic acid

4-methoxy-2-methylpyrimidine-5-carboxylic acid

CAS No.:
72411-88-2
Catalog Number:
AG01C5A4
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
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Product Description
Catalog Number:
AG01C5A4
Chemical Name:
4-methoxy-2-methylpyrimidine-5-carboxylic acid
CAS Number:
72411-88-2
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD18417323
IUPAC Name:
4-methoxy-2-methylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c1-4-8-3-5(7(10)11)6(9-4)12-2/h3H,1-2H3,(H,10,11)
InChI Key:
BZKLIDDLMRGFMZ-UHFFFAOYSA-N
SMILES:
COc1nc(C)ncc1C(=O)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties