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89704-53-0 | Benzoic acid, 5-[(cyclopentylamino)sulfonyl]-2-methoxy-
CAS No: 89704-53-0 Catalog No: AG0042P3 MDL No:
Product Description
Catalog Number:
AG0042P3
Chemical Name:
Benzoic acid, 5-[(cyclopentylamino)sulfonyl]-2-methoxy-
CAS Number:
89704-53-0
Molecular Formula:
C13H17NO5S
Molecular Weight:
299.3428
IUPAC Name:
5-(cyclopentylsulfamoyl)-2-methoxybenzoic acid
InChI:
InChI=1S/C13H17NO5S/c1-19-12-7-6-10(8-11(12)13(15)16)20(17,18)14-9-4-2-3-5-9/h6-9,14H,2-5H2,1H3,(H,15,16)
InChI Key:
AEMNBKGUUJHSGB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)S(=O)(=O)NC1CCCC1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.341g/mol
Monoisotopic Mass:
299.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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