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3577-63-7 | 2-Amino-5-sulfobenzoic acid
CAS No: 3577-63-7 Catalog No: AG003GHQ MDL No:MFCD00035763
Product Description
Catalog Number:
AG003GHQ
Chemical Name:
2-Amino-5-sulfobenzoic acid
CAS Number:
3577-63-7
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
MDL Number:
MFCD00035763
IUPAC Name:
2-amino-5-sulfobenzoic acid
InChI:
InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)
InChI Key:
MJNYPLCGWXFYPD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N)S(=O)(=O)O
EC Number:
222-697-2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.195g/mol
Monoisotopic Mass:
217.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Assessment upon azo dye decolorization and bioelectricity generation by Proteus hauseri. | Bioresource technology 20100601 |
| Electrospray ionization mass spectrometry monitoring of indigo carmine degradation by advanced oxidative processes. | Journal of mass spectrometry : JMS 20071001 |
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