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199804-22-3 | Benzoic acid, 4-azido-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester
CAS No: 199804-22-3 Catalog No: AG002CD0 MDL No:
Product Description
Catalog Number:
AG002CD0
Chemical Name:
Benzoic acid, 4-azido-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester
CAS Number:
199804-22-3
Molecular Formula:
C11H8N4O7S
Molecular Weight:
340.2688
IUPAC Name:
1-(4-azidobenzoyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
InChI:
InChI=1S/C11H8N4O7S/c12-14-13-7-3-1-6(2-4-7)11(18)22-15-9(16)5-8(10(15)17)23(19,20)21/h1-4,8H,5H2,(H,19,20,21)
InChI Key:
ULSXSHDMKGETEK-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.011g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.266g/mol
Monoisotopic Mass:
340.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Intermolecular interaction of myoglobin with water molecules along the pH denaturation curve. | The journal of physical chemistry. B 20060810 |
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