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2538-60-5 | 4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl-
CAS No: 2538-60-5 Catalog No: AG007NBS MDL No:
Product Description
Catalog Number:
AG007NBS
Chemical Name:
4H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl-
CAS Number:
2538-60-5
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
3a,5-dimethyl-2-phenyl-7,7a-dihydro-3H-indol-4-one
InChI:
InChI=1S/C16H17NO/c1-11-8-9-14-16(2,15(11)18)10-13(17-14)12-6-4-3-5-7-12/h3-8,14H,9-10H2,1-2H3
InChI Key:
PFVDLRROPRIHAT-UHFFFAOYSA-N
SMILES:
O=C1C(=CCC2C1(C)CC(=N2)c1ccccc1)C
NSC Number:
15194
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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