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56781-97-6 | N-(4,8-Dioxotricyclo[3.3.1.13,7]decan-2-yl)-4-methylbenzenesulfonamide
CAS No: 56781-97-6 Catalog No: AG00F0NY MDL No:
Product Description
Catalog Number:
AG00F0NY
Chemical Name:
N-(4,8-Dioxotricyclo[3.3.1.13,7]decan-2-yl)-4-methylbenzenesulfonamide
CAS Number:
56781-97-6
IUPAC Name:
N-[(1S,3S,5R,7R)-4,8-dioxo-2-adamantyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C17H19NO4S/c1-9-2-4-12(5-3-9)23(21,22)18-15-13-7-10-6-11(17(13)20)8-14(15)16(10)19/h2-5,10-11,13-15,18H,6-8H2,1H3/t10-,11-,13+,14+/m1/s1
InChI Key:
LMERUVPBTBXFLN-RFHZTLPTSA-N
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
333.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.402g/mol
Monoisotopic Mass:
333.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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