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857616-10-5 | 4-Acridinecarboxylicacid, 1-amino-9,10-dihydro-9-oxo-
CAS No: 857616-10-5 Catalog No: AG004Y7R MDL No:
Product Description
Catalog Number:
AG004Y7R
Chemical Name:
4-Acridinecarboxylicacid, 1-amino-9,10-dihydro-9-oxo-
CAS Number:
857616-10-5
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
IUPAC Name:
1-amino-9-oxo-10H-acridine-4-carboxylic acid
InChI:
InChI=1S/C14H10N2O3/c15-9-6-5-8(14(18)19)12-11(9)13(17)7-3-1-2-4-10(7)16-12/h1-6H,15H2,(H,16,17)(H,18,19)
InChI Key:
FUOBYFDEHGFQDU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1[nH]c1ccccc1c2=O)N
NSC Number:
629034
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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