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885269-01-2 | 1-((3-Methylphenyl)sulfonamido)cyclohexane-1-carboxylic acid
CAS No: 885269-01-2 Catalog No: AG01FN3B MDL No:MFCD06409395
Product Description
Catalog Number:
AG01FN3B
Chemical Name:
1-((3-Methylphenyl)sulfonamido)cyclohexane-1-carboxylic acid
CAS Number:
885269-01-2
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
MDL Number:
MFCD06409395
IUPAC Name:
1-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H19NO4S/c1-11-6-5-7-12(10-11)20(18,19)15-14(13(16)17)8-3-2-4-9-14/h5-7,10,15H,2-4,8-9H2,1H3,(H,16,17)
InChI Key:
QNMWVTFIQQCVRK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=O)(=O)NC1(CCCCC1)C(=O)O
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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