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Home > Indoles and Oxindole > 105600-71-3
105600-71-3 | 1H-Indolizinium, 1-(1-azulenylmethylene)-2,3-dimethyl-, perchlorate
CAS No: 105600-71-3 Catalog No: AG007W0G MDL No:
Product Description
Catalog Number:
AG007W0G
Chemical Name:
1H-Indolizinium, 1-(1-azulenylmethylene)-2,3-dimethyl-, perchlorate
CAS Number:
105600-71-3
Molecular Formula:
C21H18ClNO4
Molecular Weight:
383.8249
IUPAC Name:
1-(azulen-1-ylmethylidene)-2,3-dimethylindolizin-4-ium;perchlorate
InChI:
InChI=1S/C21H18N.ClHO4/c1-15-16(2)22-13-7-6-10-21(22)20(15)14-18-12-11-17-8-4-3-5-9-19(17)18;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
RJMZEUKZBCDSSO-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC1=C(C)C(=Cc2ccc3c2ccccc3)c2[n+]1cccc2
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.092g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.828g/mol
Monoisotopic Mass:
383.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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