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1010-55-5 | 4-Pteridinamine, 7-methyl-, 5-oxide
CAS No: 1010-55-5 Catalog No: AG0003GE MDL No:
Product Description
Catalog Number:
AG0003GE
Chemical Name:
4-Pteridinamine, 7-methyl-, 5-oxide
CAS Number:
1010-55-5
Molecular Formula:
C7H7N5O
Molecular Weight:
177.1634
IUPAC Name:
7-methyl-5-oxidopteridin-5-ium-4-amine
InChI:
InChI=1S/C7H7N5O/c1-4-2-12(13)5-6(8)9-3-10-7(5)11-4/h2-3H,1H3,(H2,8,9,10,11)
InChI Key:
NLRZUEWXTBSGPB-UHFFFAOYSA-N
SMILES:
Cc1c[n+]([O-])c2c(n1)ncnc2N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.167g/mol
Monoisotopic Mass:
177.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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