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10252-82-1 | Benzoic acid, 4-(4-morpholinylsulfonyl)-
CAS No: 10252-82-1 Catalog No: AG0007NK MDL No:MFCD00441966
Product Description
Catalog Number:
AG0007NK
Chemical Name:
Benzoic acid, 4-(4-morpholinylsulfonyl)-
CAS Number:
10252-82-1
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
MDL Number:
MFCD00441966
IUPAC Name:
4-morpholin-4-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H13NO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H,13,14)
InChI Key:
IGXVSENNUSQCOL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.287g/mol
Monoisotopic Mass:
271.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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