Home Other Building Blocks 2-(OXAN-4-YL)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID

2-(OXAN-4-YL)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID

CAS No.:
1483625-38-2
Catalog Number:
AG01EKBN
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
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Product Description
Catalog Number:
AG01EKBN
Chemical Name:
2-(OXAN-4-YL)-6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID
CAS Number:
1483625-38-2
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD21218287
IUPAC Name:
2-(oxan-4-yl)-4-oxo-5H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C10H12N2O4/c13-9-7(10(14)15)5-11-8(12-9)6-1-3-16-4-2-6/h5-7H,1-4H2,(H,14,15)
InChI Key:
LLVJLNNIUSGXBI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc([nH]c1=O)C1CCOCC1
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties