Home Other Building Blocks 2-(6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl)acetic acid

2-(6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl)acetic acid

CAS No.:
1105193-70-1
Catalog Number:
AG01BC09
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
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Product Description
Catalog Number:
AG01BC09
Chemical Name:
2-(6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl)acetic acid
CAS Number:
1105193-70-1
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD16652659
IUPAC Name:
2-(6-oxo-4-phenylpyrimidin-1-yl)acetic acid
InChI:
InChI=1S/C12H10N2O3/c15-11-6-10(9-4-2-1-3-5-9)13-8-14(11)7-12(16)17/h1-6,8H,7H2,(H,16,17)
InChI Key:
QRPMZNROSUZRLG-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cnc(cc1=O)c1ccccc1
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties