200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 83969-07-7
83969-07-7 | 1,3,3-TRIMETHYL-2-[2-(2-METHYL-1H-INDOL-3-YL)VINYL]-3H-INDOLIUM DIHYDROGEN PHOSPHONATE
CAS No: 83969-07-7 Catalog No: AG00523X MDL No:
Product Description
Catalog Number:
AG00523X
Chemical Name:
1,3,3-TRIMETHYL-2-[2-(2-METHYL-1H-INDOL-3-YL)VINYL]-3H-INDOLIUM DIHYDROGEN PHOSPHONATE
CAS Number:
83969-07-7
Molecular Formula:
C22H26N2O3P+
Molecular Weight:
397.4272
IUPAC Name:
dihydroxy(oxo)phosphanium;1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium
InChI:
InChI=1S/C22H22N2.HO3P/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-4(2)3/h5-14H,1-4H3;(H-,1,2,3)/p+2
InChI Key:
NNNSLCZNESSAHJ-UHFFFAOYSA-P
SMILES:
Cc1[nH]c2c(c1C=CC1=[N+](C)c3c(C1(C)C)cccc3)cccc2.OP(=O)O
EC Number:
281-584-6
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.16g/mol
Formal Charge:
2
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
396.427g/mol
Monoisotopic Mass:
396.16g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.