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Home > Indoles and Oxindole > 111203-76-0
111203-76-0 | 1H-Indole-1-butanesulfonic acid, 2,3-dihydro-2,3,3-trimethyl-5-sulfo-
CAS No: 111203-76-0 Catalog No: AG0082MZ MDL No:
Product Description
Catalog Number:
AG0082MZ
Chemical Name:
1H-Indole-1-butanesulfonic acid, 2,3-dihydro-2,3,3-trimethyl-5-sulfo-
CAS Number:
111203-76-0
Molecular Formula:
C15H23NO6S2
Molecular Weight:
377.4762
IUPAC Name:
2,3,3-trimethyl-1-(4-sulfobutyl)-2H-indole-5-sulfonic acid
InChI:
InChI=1S/C15H23NO6S2/c1-11-15(2,3)13-10-12(24(20,21)22)6-7-14(13)16(11)8-4-5-9-23(17,18)19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18,19)(H,20,21,22)
InChI Key:
FYLGKCQXFYNOIZ-UHFFFAOYSA-N
SMILES:
CC1N(CCCCS(=O)(=O)O)c2c(C1(C)C)cc(cc2)S(=O)(=O)O
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.47g/mol
Monoisotopic Mass:
377.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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