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65434-55-1 | 6-Pteridinecarboxaldehyde, 2-amino-1,4,5,8-tetrahydro-4-oxo-
CAS No: 65434-55-1 Catalog No: AG006QZ8 MDL No:
Product Description
Catalog Number:
AG006QZ8
Chemical Name:
6-Pteridinecarboxaldehyde, 2-amino-1,4,5,8-tetrahydro-4-oxo-
CAS Number:
65434-55-1
Molecular Formula:
C7H7N5O2
Molecular Weight:
193.1628
IUPAC Name:
2-amino-4-oxo-5,8-dihydro-3H-pteridine-6-carbaldehyde
InChI:
InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2,10H,(H4,8,9,11,12,14)
InChI Key:
YDUNTFFZHVLCFY-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c([nH]1)c(=O)nc([nH]2)N
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
193.166g/mol
Monoisotopic Mass:
193.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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