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28898-09-1 | 2(1H)-Pteridinone, 3,5,6,7-tetrahydro-
CAS No: 28898-09-1 Catalog No: AG002WYO MDL No:
Product Description
Catalog Number:
AG002WYO
Chemical Name:
2(1H)-Pteridinone, 3,5,6,7-tetrahydro-
CAS Number:
28898-09-1
Molecular Formula:
C6H8N4O
Molecular Weight:
152.1539
IUPAC Name:
5,6,7,8-tetrahydro-1H-pteridin-2-one
InChI:
InChI=1S/C6H8N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h3,7H,1-2H2,(H2,8,9,10,11)
InChI Key:
PNJKVWQSMVGHOF-UHFFFAOYSA-N
SMILES:
C1CNc2c(=N1)[nH]c(=O)[nH]c2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.07g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
152.157g/mol
Monoisotopic Mass:
152.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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