Home Other Building Blocks 4-METHYL-2-(OXAN-4-YL)PYRIMIDINE-5-CARBOXYLIC ACID

4-METHYL-2-(OXAN-4-YL)PYRIMIDINE-5-CARBOXYLIC ACID

CAS No.:
1493751-21-5
Catalog Number:
AG01EKDJ
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
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Product Description
Catalog Number:
AG01EKDJ
Chemical Name:
4-METHYL-2-(OXAN-4-YL)PYRIMIDINE-5-CARBOXYLIC ACID
CAS Number:
1493751-21-5
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD21218286
IUPAC Name:
4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C11H14N2O3/c1-7-9(11(14)15)6-12-10(13-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,14,15)
InChI Key:
ZZQHHXLPKNJWJV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1C)C1CCOCC1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties