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118-03-6 | 1,3,6-Naphthalenetrisulfonic acid, 7-amino-
CAS No: 118-03-6 Catalog No: AG000I9M MDL No:MFCD00035721
Product Description
Catalog Number:
AG000I9M
Chemical Name:
1,3,6-Naphthalenetrisulfonic acid, 7-amino-
CAS Number:
118-03-6
Molecular Formula:
C10H9NO9S3
Molecular Weight:
383.3748
MDL Number:
MFCD00035721
IUPAC Name:
7-aminonaphthalene-1,3,6-trisulfonic acid
InChI:
InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)
InChI Key:
GFPQSWFFPRQEHH-UHFFFAOYSA-N
SMILES:
Nc1cc2c(cc1S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O
EC Number:
204-229-9
NSC Number:
7561
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.944g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
383.36g/mol
Monoisotopic Mass:
382.944g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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