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88115-10-0 | Indolizino[8,7-b]indol-4-ium, 1,2,3,5,6,11-hexahydro-, perchlorate
CAS No: 88115-10-0 Catalog No: AG004E4Q MDL No:
Product Description
Catalog Number:
AG004E4Q
Chemical Name:
Indolizino[8,7-b]indol-4-ium, 1,2,3,5,6,11-hexahydro-, perchlorate
CAS Number:
88115-10-0
Molecular Formula:
C14H15ClN2O4
Molecular Weight:
310.7329
IUPAC Name:
1,2,3,5,6,11-hexahydroindolizino[8,7-b]indol-4-ium;perchlorate
InChI:
InChI=1S/C14H14N2.ClHO4/c1-2-5-12-10(4-1)11-7-9-16-8-3-6-13(16)14(11)15-12;2-1(3,4)5/h1-2,4-5H,3,6-9H2;(H,2,3,4,5)
InChI Key:
XBCNJTMFPVLGDS-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[nH]c1c2CC[N+]2=C1CCC2.[O-][Cl](=O)(=O)=O
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.734g/mol
Monoisotopic Mass:
310.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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