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1624260-53-2 | Hexanoic acid, 6-[[(phenylsulfonyl)methyl]amino]-
CAS No: 1624260-53-2 Catalog No: AG001T40 MDL No:
Product Description
Catalog Number:
AG001T40
Chemical Name:
Hexanoic acid, 6-[[(phenylsulfonyl)methyl]amino]-
CAS Number:
1624260-53-2
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
IUPAC Name:
6-(benzenesulfonylmethylamino)hexanoic acid
InChI:
InChI=1S/C13H19NO4S/c15-13(16)9-5-2-6-10-14-11-19(17,18)12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2,(H,15,16)
InChI Key:
OLUXXKLSWDXSDR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCNCS(=O)(=O)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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