Home Other Building Blocks 4,6-DIMETHYL-2-(OXAN-4-YL)PYRIMIDINE-5-CARBOXYLIC ACID

4,6-DIMETHYL-2-(OXAN-4-YL)PYRIMIDINE-5-CARBOXYLIC ACID

CAS No.:
1493143-91-1
Catalog Number:
AG01EKHV
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
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Product Description
Catalog Number:
AG01EKHV
Chemical Name:
4,6-DIMETHYL-2-(OXAN-4-YL)PYRIMIDINE-5-CARBOXYLIC ACID
CAS Number:
1493143-91-1
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD21511908
IUPAC Name:
4,6-dimethyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C12H16N2O3/c1-7-10(12(15)16)8(2)14-11(13-7)9-3-5-17-6-4-9/h9H,3-6H2,1-2H3,(H,15,16)
InChI Key:
NXNKJRLLJICCRE-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nc(nc1C)C1CCOCC1
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties