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125219-55-8 | Benzo[g]pteridine-2,4(3H,10H)-dione, 10-hexyl-
CAS No: 125219-55-8 Catalog No: AG000NCH MDL No:
Product Description
Catalog Number:
AG000NCH
Chemical Name:
Benzo[g]pteridine-2,4(3H,10H)-dione, 10-hexyl-
CAS Number:
125219-55-8
Molecular Formula:
C16H18N4O2
Molecular Weight:
298.3397
IUPAC Name:
10-hexylbenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C16H18N4O2/c1-2-3-4-7-10-20-12-9-6-5-8-11(12)17-13-14(20)18-16(22)19-15(13)21/h5-6,8-9H,2-4,7,10H2,1H3,(H,19,21,22)
InChI Key:
VPKOXGXQAOGLEG-UHFFFAOYSA-N
SMILES:
CCCCCCn1c2ccccc2nc2c1nc(=O)[nH]c2=O
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.346g/mol
Monoisotopic Mass:
298.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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