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16878-89-0 | 2(1H)-Pteridinone, 3,4-dihydro-
CAS No: 16878-89-0 Catalog No: AG001YAC MDL No:MFCD28011247
Product Description
Catalog Number:
AG001YAC
Chemical Name:
2(1H)-Pteridinone, 3,4-dihydro-
CAS Number:
16878-89-0
Molecular Formula:
C6H6N4O
Molecular Weight:
150.1380
MDL Number:
MFCD28011247
IUPAC Name:
3,4-dihydro-1H-pteridin-2-one
InChI:
InChI=1S/C6H6N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h1-2H,3H2,(H2,8,9,10,11)
InChI Key:
WEVWMDXKENHVCZ-UHFFFAOYSA-N
SMILES:
C1NC(=O)Nc2c1nccn2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.141g/mol
Monoisotopic Mass:
150.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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