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189013-40-9 | 1H-Azepin-4-ol, hexahydro-1-[(4-methylphenyl)sulfonyl]-, (4R)-
CAS No: 189013-40-9 Catalog No: AG002HP1 MDL No:
Product Description
Catalog Number:
AG002HP1
Chemical Name:
1H-Azepin-4-ol, hexahydro-1-[(4-methylphenyl)sulfonyl]-, (4R)-
CAS Number:
189013-40-9
Molecular Formula:
C13H19NO3S
Molecular Weight:
269.3599
IUPAC Name:
(4R)-1-(4-methylphenyl)sulfonylazepan-4-ol
InChI:
InChI=1S/C13H19NO3S/c1-11-4-6-13(7-5-11)18(16,17)14-9-2-3-12(15)8-10-14/h4-7,12,15H,2-3,8-10H2,1H3/t12-/m1/s1
InChI Key:
GZKHMUUHCOVZQS-GFCCVEGCSA-N
SMILES:
O[C@@H]1CCCN(CC1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
269.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.359g/mol
Monoisotopic Mass:
269.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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