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1251033-14-3 | 1,6-Naphthyridine-2,5(1H,6H)-dione, 7,8-dihydro-
CAS No: 1251033-14-3 Catalog No: AG000N70 MDL No:
Product Description
Catalog Number:
AG000N70
Chemical Name:
1,6-Naphthyridine-2,5(1H,6H)-dione, 7,8-dihydro-
CAS Number:
1251033-14-3
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
InChI:
InChI=1S/C8H8N2O2/c11-7-2-1-5-6(10-7)3-4-9-8(5)12/h1-2H,3-4H2,(H,9,12)(H,10,11)
InChI Key:
PEFCTMVBZNRCCT-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1ccc(=O)[nH]2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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