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1148009-65-7 | Spiro[cyclohexane-1,3'-[3H]indole]-4-carboxylic acid, 1',2'-dihydro-1'-(Methylsulfonyl)-, Methyl ester, trans-
CAS No: 1148009-65-7 Catalog No: AG000F8S MDL No:
Product Description
Catalog Number:
AG000F8S
Chemical Name:
Spiro[cyclohexane-1,3'-[3H]indole]-4-carboxylic acid, 1',2'-dihydro-1'-(Methylsulfonyl)-, Methyl ester, trans-
CAS Number:
1148009-65-7
IUPAC Name:
methyl 1-methylsulfonylspiro[2H-indole-3,4'-cyclohexane]-1'-carboxylate
InChI:
InChI=1S/C16H21NO4S/c1-21-15(18)12-7-9-16(10-8-12)11-17(22(2,19)20)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3
InChI Key:
PYENOZVWXBWMQJ-UHFFFAOYSA-N
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.407g/mol
Monoisotopic Mass:
323.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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