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Home > Indoles and Oxindole > 14006-77-0
14006-77-0 | 4H-Indol-4-one, 1,5,6,7-tetrahydro-2-phenyl-
CAS No: 14006-77-0 Catalog No: AG001BZI MDL No:
Product Description
Catalog Number:
AG001BZI
Chemical Name:
4H-Indol-4-one, 1,5,6,7-tetrahydro-2-phenyl-
CAS Number:
14006-77-0
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
IUPAC Name:
2-phenyl-1,5,6,7-tetrahydroindol-4-one
InChI:
InChI=1S/C14H13NO/c16-14-8-4-7-12-11(14)9-13(15-12)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2
InChI Key:
IOCKGQRVMMIOHM-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc([nH]2)c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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