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87223-34-5 | Benzoic acid,2-(4-morpholinylsulfonyl)-
CAS No: 87223-34-5 Catalog No: AG004JE1 MDL No:MFCD09813541
Product Description
Catalog Number:
AG004JE1
Chemical Name:
Benzoic acid,2-(4-morpholinylsulfonyl)-
CAS Number:
87223-34-5
Molecular Formula:
C11H13NO5S
Molecular Weight:
271.2896
MDL Number:
MFCD09813541
IUPAC Name:
2-morpholin-4-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H13NO5S/c13-11(14)9-3-1-2-4-10(9)18(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H,13,14)
InChI Key:
YTQKWJNSSYODEV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
Properties
Complexity:
396
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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