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81417-89-2 | 1-Naphthalenesulfonicacid, 2-amino-6-[[2-(sulfooxy)ethyl]sulfonyl]-
CAS No: 81417-89-2 Catalog No: AG005KM4 MDL No:MFCD09751757
Product Description
Catalog Number:
AG005KM4
Chemical Name:
1-Naphthalenesulfonicacid, 2-amino-6-[[2-(sulfooxy)ethyl]sulfonyl]-
CAS Number:
81417-89-2
Molecular Formula:
C12H13NO9S3
Molecular Weight:
411.4279
MDL Number:
MFCD09751757
IUPAC Name:
2-amino-6-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid
InChI:
InChI=1S/C12H13NO9S3/c13-11-4-1-8-7-9(2-3-10(8)12(11)24(16,17)18)23(14,15)6-5-22-25(19,20)21/h1-4,7H,5-6,13H2,(H,16,17,18)(H,19,20,21)
InChI Key:
FSRFGSIFTOWRLP-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1S(=O)(=O)O)ccc(c2)S(=O)(=O)CCOS(=O)(=O)O
EC Number:
617-233-4
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.975g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
411.414g/mol
Monoisotopic Mass:
410.975g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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