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43132-72-5 | 1H-Indolesulfonic acid, 2-methyl-
CAS No: 43132-72-5 Catalog No: AG006ZM6 MDL No:
Product Description
Catalog Number:
AG006ZM6
Chemical Name:
1H-Indolesulfonic acid, 2-methyl-
CAS Number:
43132-72-5
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
IUPAC Name:
2-methyl-1,3-dihydroindole-2-sulfonic acid
InChI:
InChI=1S/C9H11NO3S/c1-9(14(11,12)13)6-7-4-2-3-5-8(7)10-9/h2-5,10H,6H2,1H3,(H,11,12,13)
InChI Key:
DSHNFJITQMUHKY-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)C1(C)Cc2c(N1)cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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