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137372-20-4 | 1,5-Naphthalenedisulfonic acid, 2-(acetylamino)-
CAS No: 137372-20-4 Catalog No: AG00137O MDL No:
Product Description
Catalog Number:
AG00137O
Chemical Name:
1,5-Naphthalenedisulfonic acid, 2-(acetylamino)-
CAS Number:
137372-20-4
Molecular Formula:
C12H11NO7S2
Molecular Weight:
345.3482
IUPAC Name:
2-acetamidonaphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C12H11NO7S2/c1-7(14)13-10-6-5-8-9(12(10)22(18,19)20)3-2-4-11(8)21(15,16)17/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20)
InChI Key:
WGOQGHNONXFNJQ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.998g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.34g/mol
Monoisotopic Mass:
344.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Catalysis of decarboxylation by a preorganized heterogeneous microenvironment: crystal structures of abzyme 21D8. | Journal of molecular biology 20001006 |
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