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102331-54-4 | 1,10-Phenanthroline-5,6-dione, 2,9-dimethyl-
CAS No: 102331-54-4 Catalog No: AG00077X MDL No:
Product Description
Catalog Number:
AG00077X
Chemical Name:
1,10-Phenanthroline-5,6-dione, 2,9-dimethyl-
CAS Number:
102331-54-4
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
2,9-dimethyl-1,10-phenanthroline-5,6-dione
InChI:
InChI=1S/C14H10N2O2/c1-7-3-5-9-11(15-7)12-10(14(18)13(9)17)6-4-8(2)16-12/h3-6H,1-2H3
InChI Key:
VNAPNEVIDUOCSG-UHFFFAOYSA-N
SMILES:
O=C1c2ccc(nc2c2c(C1=O)ccc(n2)C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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