Home Other Building Blocks 3-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid

3-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid

CAS No.:
857228-20-7
Catalog Number:
AG019WLL
Molecular Formula:
C9H10N4O4
Molecular Weight:
238.2001
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019WLL
Chemical Name:
3-(3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid
CAS Number:
857228-20-7
Molecular Formula:
C9H10N4O4
Molecular Weight:
238.2001
MDL Number:
MFCD12913094
IUPAC Name:
3-(3-methyl-2,6-dioxo-7H-purin-8-yl)propanoic acid
InChI:
InChI=1S/C9H10N4O4/c1-13-7-6(8(16)12-9(13)17)10-4(11-7)2-3-5(14)15/h2-3H2,1H3,(H,10,11)(H,14,15)(H,12,16,17)
InChI Key:
YHGZELDCUZIIRE-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1[nH]c2c(n1)n(C)c(=O)[nH]c2=O
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.07g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
238.203g/mol
Monoisotopic Mass:
238.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties