Home Other Building Blocks 9-Acetyl-1,9-dihydro-6H-purin-6-one

9-Acetyl-1,9-dihydro-6H-purin-6-one

CAS No.:
408531-05-5
Catalog Number:
AG01DUBD
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
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Product Description
Catalog Number:
AG01DUBD
Chemical Name:
9-Acetyl-1,9-dihydro-6H-purin-6-one
CAS Number:
408531-05-5
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD21336555
IUPAC Name:
9-acetyl-5H-purin-6-one
InChI:
InChI=1S/C7H6N4O2/c1-4(12)11-3-10-5-6(11)8-2-9-7(5)13/h2-3,5H,1H3
InChI Key:
GGPNCAAIVPEVQZ-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c2c1ncn2C(=O)C
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties