200,000+ products from a single source!
sales@angenechem.com
191792-66-2 | Benzoic acid, 4-(2-ethyl-2,3,4,4a,5,9b-hexahydro-8-iodo-7-methyl-1H-indeno[1,2-c]pyridin-5-yl)-
CAS No: 191792-66-2 Catalog No: AG002FH0 MDL No:
Product Description
Catalog Number:
AG002FH0
Chemical Name:
Benzoic acid, 4-(2-ethyl-2,3,4,4a,5,9b-hexahydro-8-iodo-7-methyl-1H-indeno[1,2-c]pyridin-5-yl)-
CAS Number:
191792-66-2
Molecular Formula:
C22H24INO2
Molecular Weight:
461.3359
IUPAC Name:
4-(2-ethyl-8-iodo-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl)benzoic acid
InChI:
InChI=1S/C22H24INO2/c1-3-24-9-8-16-19(12-24)17-11-20(23)13(2)10-18(17)21(16)14-4-6-15(7-5-14)22(25)26/h4-7,10-11,16,19,21H,3,8-9,12H2,1-2H3,(H,25,26)
InChI Key:
BSSDFCDPPXIOTN-UHFFFAOYSA-N
SMILES:
CCN1CCC2C(C1)c1cc(I)c(cc1C2c1ccc(cc1)C(=O)O)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.085g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
461.343g/mol
Monoisotopic Mass:
461.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.