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113464-69-0 | 2,5-Cyclohexadien-1-one, 4-(9-acridinylamino)-3-methoxy-
CAS No: 113464-69-0 Catalog No: AG0008O1 MDL No:
Product Description
Catalog Number:
AG0008O1
Chemical Name:
2,5-Cyclohexadien-1-one, 4-(9-acridinylamino)-3-methoxy-
CAS Number:
113464-69-0
Molecular Formula:
C20H16N2O2
Molecular Weight:
316.3532
IUPAC Name:
4-(acridin-9-ylamino)-3-methoxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C20H16N2O2/c1-24-19-12-13(23)10-11-18(19)22-20-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20/h2-12,18H,1H3,(H,21,22)
InChI Key:
KWPRXCSIQJPWPB-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C=CC1Nc1c2ccccc2nc2c1cccc2
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.36g/mol
Monoisotopic Mass:
316.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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