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203244-99-9 | 2H-Indol-2-one, 1,3,3a,4,5,6-hexahydro-3a-methyl-1-(phenylmethyl)-
CAS No: 203244-99-9 Catalog No: AG0028R7 MDL No:
Product Description
Catalog Number:
AG0028R7
Chemical Name:
2H-Indol-2-one, 1,3,3a,4,5,6-hexahydro-3a-methyl-1-(phenylmethyl)-
CAS Number:
203244-99-9
Molecular Formula:
C16H19NO
Molecular Weight:
241.3282
IUPAC Name:
1-benzyl-3a-methyl-3,4,5,6-tetrahydroindol-2-one
InChI:
InChI=1S/C16H19NO/c1-16-10-6-5-9-14(16)17(15(18)11-16)12-13-7-3-2-4-8-13/h2-4,7-9H,5-6,10-12H2,1H3
InChI Key:
AEMUFPLWVNQVGK-UHFFFAOYSA-N
SMILES:
O=C1CC2(C(=CCCC2)N1Cc1ccccc1)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.334g/mol
Monoisotopic Mass:
241.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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