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100450-58-6 | Hexanoic acid, 6-[(phenylsulfonyl)amino]-, methyl ester
CAS No: 100450-58-6 Catalog No: AG00020T MDL No:
Product Description
Catalog Number:
AG00020T
Chemical Name:
Hexanoic acid, 6-[(phenylsulfonyl)amino]-, methyl ester
CAS Number:
100450-58-6
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
IUPAC Name:
methyl 6-(benzenesulfonamido)hexanoate
InChI:
InChI=1S/C13H19NO4S/c1-18-13(15)10-6-3-7-11-14-19(16,17)12-8-4-2-5-9-12/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3
InChI Key:
NPMDDXJDCOVTMZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCNS(=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:
1
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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