Home Other Building Blocks 2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid

2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid

CAS No.:
56787-53-2
Catalog Number:
AG019MN5
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
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Product Description
Catalog Number:
AG019MN5
Chemical Name:
2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CAS Number:
56787-53-2
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD09046965
IUPAC Name:
2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
InChI:
InChI=1S/C7H8N2O4/c1-8-5(10)2-3-9(7(8)13)4-6(11)12/h2-3H,4H2,1H3,(H,11,12)
InChI Key:
JALZAYSDFUFSIM-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ccc(=O)n(c1=O)C
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties