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26391-88-8 | Sulfuric acid, monomethyl ester, compd. with 1-methoxy-1H-pyrido[2,3-b]indole (1:1)
CAS No: 26391-88-8 Catalog No: AG002T0L MDL No:
Product Description
Catalog Number:
AG002T0L
Chemical Name:
Sulfuric acid, monomethyl ester, compd. with 1-methoxy-1H-pyrido[2,3-b]indole (1:1)
CAS Number:
26391-88-8
Molecular Formula:
C13H14N2O5S
Molecular Weight:
310.3257
IUPAC Name:
1-methoxy-9H-pyrido[2,3-b]indol-1-ium;methyl sulfate
InChI:
InChI=1S/C12H10N2O.CH4O4S/c1-15-14-8-4-6-10-9-5-2-3-7-11(9)13-12(10)14;1-5-6(2,3)4/h2-8H,1H3;1H3,(H,2,3,4)
InChI Key:
UGTANKHURIUUEZ-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)O.COn1cccc2c1nc1c2cccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.324g/mol
Monoisotopic Mass:
310.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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