200,000+ products from a single source!
sales@angenechem.com
130936-30-0 | Pyridinium, 4-[2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethyl-, iodide (1:1)
CAS No: 130936-30-0 Catalog No: AG000V51 MDL No:
Product Description
Catalog Number:
AG000V51
Chemical Name:
Pyridinium, 4-[2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethyl-, iodide (1:1)
CAS Number:
130936-30-0
Molecular Formula:
C16H16INO2
Molecular Weight:
381.2082
IUPAC Name:
4-[2-(1,3-benzodioxol-5-yl)ethenyl]-1-ethylpyridin-1-ium;iodide
InChI:
InChI=1S/C16H16NO2.HI/c1-2-17-9-7-13(8-10-17)3-4-14-5-6-15-16(11-14)19-12-18-15;/h3-11H,2,12H2,1H3;1H/q+1;/p-1
InChI Key:
GSJKHNKLCXJSDS-UHFFFAOYSA-M
SMILES:
CC[n+]1ccc(cc1)C=Cc1ccc2c(c1)OCO2.[I-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.213g/mol
Monoisotopic Mass:
381.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.