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115996-44-6 | Pyridinium, 4-methyl-1-(9H-xanthen-9-yl)-, perchlorate (1:1)
CAS No: 115996-44-6 Catalog No: AG000HE1 MDL No:
Product Description
Catalog Number:
AG000HE1
Chemical Name:
Pyridinium, 4-methyl-1-(9H-xanthen-9-yl)-, perchlorate (1:1)
CAS Number:
115996-44-6
Molecular Formula:
C19H16ClNO5
Molecular Weight:
373.7870
IUPAC Name:
4-methyl-1-(9H-xanthen-9-yl)pyridin-1-ium;perchlorate
InChI:
InChI=1S/C19H16NO.ClHO4/c1-14-10-12-20(13-11-14)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19;2-1(3,4)5/h2-13,19H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
DJGQOCSCTQXTIY-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc[n+](cc1)C1c2ccccc2Oc2c1cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.072g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.789g/mol
Monoisotopic Mass:
373.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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