Home Other Building Blocks 2-(5-carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid

2-(5-carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid

CAS No.:
98279-95-9
Catalog Number:
AG019MLA
Molecular Formula:
C7H7N3O5
Molecular Weight:
213.1476
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Product Description
Catalog Number:
AG019MLA
Chemical Name:
2-(5-carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CAS Number:
98279-95-9
Molecular Formula:
C7H7N3O5
Molecular Weight:
213.1476
MDL Number:
MFCD10686907
IUPAC Name:
2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid
InChI:
InChI=1S/C7H7N3O5/c8-5(13)3-1-10(2-4(11)12)7(15)9-6(3)14/h1H,2H2,(H2,8,13)(H,11,12)(H,9,14,15)
InChI Key:
XOCUBEHFERLZFJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(C(=O)N)c(=O)[nH]c1=O
Properties
Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
213.149g/mol
Monoisotopic Mass:
213.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties