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123632-55-3 | Acridinium, 10-methyl-9-(phenoxycarbonyl)-
CAS No: 123632-55-3 Catalog No: AG000KX1 MDL No:
Product Description
Catalog Number:
AG000KX1
Chemical Name:
Acridinium, 10-methyl-9-(phenoxycarbonyl)-
CAS Number:
123632-55-3
Molecular Formula:
C21H16NO2+
Molecular Weight:
314.3572
IUPAC Name:
phenyl 10-methylacridin-10-ium-9-carboxylate
InChI:
InChI=1S/C21H16NO2/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(23)24-15-9-3-2-4-10-15/h2-14H,1H3/q+1
InChI Key:
RXNXLAHQOVLMIE-UHFFFAOYSA-N
SMILES:
O=C(c1c2ccccc2[n+](c2c1cccc2)C)Oc1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.118g/mol
Formal Charge:
1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.364g/mol
Monoisotopic Mass:
314.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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