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89704-51-8 | Benzoic acid,2-methoxy-5-(1-pyrrolidinylsulfonyl)-
CAS No: 89704-51-8 Catalog No: AG00449X MDL No:MFCD02658258
Product Description
Catalog Number:
AG00449X
Chemical Name:
Benzoic acid,2-methoxy-5-(1-pyrrolidinylsulfonyl)-
CAS Number:
89704-51-8
Molecular Formula:
C12H15NO5S
Molecular Weight:
285.3162
MDL Number:
MFCD02658258
IUPAC Name:
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C12H15NO5S/c1-18-11-5-4-9(8-10(11)12(14)15)19(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChI Key:
OMZGXILDEBYINK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)S(=O)(=O)N1CCCC1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.314g/mol
Monoisotopic Mass:
285.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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