200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 102875-91-2
102875-91-2 | 2-[bis(1-methyl-1H-indol-3-yl)methyl]benzoic acid
CAS No: 102875-91-2 Catalog No: AG01F95M MDL No:
Product Description
Catalog Number:
AG01F95M
Chemical Name:
2-[bis(1-methyl-1H-indol-3-yl)methyl]benzoic acid
CAS Number:
102875-91-2
Molecular Formula:
C26H22N2O2
Molecular Weight:
394.4651
IUPAC Name:
2-[bis(1-methylindol-3-yl)methyl]benzoic acid
InChI:
InChI=1S/C26H22N2O2/c1-27-15-21(17-9-5-7-13-23(17)27)25(19-11-3-4-12-20(19)26(29)30)22-16-28(2)24-14-8-6-10-18(22)24/h3-16,25H,1-2H3,(H,29,30)
InChI Key:
PIZYLJWIUSCZGV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C(c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.168g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.474g/mol
Monoisotopic Mass:
394.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.