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199804-23-4 | Benzoic acid, 4-azido-2-hydroxy-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester
CAS No: 199804-23-4 Catalog No: AG002CCZ MDL No:
Product Description
Catalog Number:
AG002CCZ
Chemical Name:
Benzoic acid, 4-azido-2-hydroxy-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester
CAS Number:
199804-23-4
Molecular Formula:
C11H8N4O8S
Molecular Weight:
356.2682
IUPAC Name:
1-(4-azido-2-hydroxybenzoyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
InChI:
InChI=1S/C11H8N4O8S/c12-14-13-5-1-2-6(7(16)3-5)11(19)23-15-9(17)4-8(10(15)18)24(20,21)22/h1-3,8,16H,4H2,(H,20,21,22)
InChI Key:
WXNUQNKRAVKETI-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1)O)C(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.006g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.265g/mol
Monoisotopic Mass:
356.006g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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