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29727-70-6 | 1-Naphthalenemethanesulfonic acid, 2-amino-6-sulfo-
CAS No: 29727-70-6 Catalog No: AG002Z7Z MDL No:
Product Description
Catalog Number:
AG002Z7Z
Chemical Name:
1-Naphthalenemethanesulfonic acid, 2-amino-6-sulfo-
CAS Number:
29727-70-6
Molecular Formula:
C11H11NO6S2
Molecular Weight:
317.3381
IUPAC Name:
6-amino-5-(sulfomethyl)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C11H11NO6S2/c12-11-4-1-7-5-8(20(16,17)18)2-3-9(7)10(11)6-19(13,14)15/h1-5H,6,12H2,(H,13,14,15)(H,16,17,18)
InChI Key:
FHAPCIVDWNIOPS-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1CS(=O)(=O)O)ccc(c2)S(=O)(=O)O
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.003g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.33g/mol
Monoisotopic Mass:
317.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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