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146340-18-3 | 9-Acridinecarboxylic acid, hydrate (1:2)
CAS No: 146340-18-3 Catalog No: AG001DXR MDL No:MFCD00149578
Product Description
Catalog Number:
AG001DXR
Chemical Name:
9-Acridinecarboxylic acid, hydrate (1:2)
CAS Number:
146340-18-3
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD00149578
IUPAC Name:
acridine-9-carboxylic acid;dihydrate
InChI:
InChI=1S/C14H9NO2.2H2O/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1-8H,(H,16,17);2*1H2
InChI Key:
PEBOTHBBMSRXNT-UHFFFAOYSA-N
SMILES:
OC(=O)c1c2ccccc2nc2c1cccc2.O.O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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