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Home > Indoles and Oxindole > 65265-86-3
65265-86-3 | 2H-Indol-2-one, 1,4,5,6,7,7a-hexahydro-3-phenyl-
CAS No: 65265-86-3 Catalog No: AG00H664 MDL No:
Product Description
Catalog Number:
AG00H664
Chemical Name:
2H-Indol-2-one, 1,4,5,6,7,7a-hexahydro-3-phenyl-
CAS Number:
65265-86-3
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
3-phenyl-1,4,5,6,7,7a-hexahydroindol-2-one
InChI:
InChI=1S/C14H15NO/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-14/h1-3,6-7,12H,4-5,8-9H2,(H,15,16)
InChI Key:
WMFSKEQQDZKUSL-UHFFFAOYSA-N
SMILES:
O=C1NC2C(=C1c1ccccc1)CCCC2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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