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Home > Indoles and Oxindole > 13671-74-4
13671-74-4 | 4H-Indol-4-one, 1,5,6,7-tetrahydro-1-(phenylmethyl)-
CAS No: 13671-74-4 Catalog No: AG00129M MDL No:
Product Description
Catalog Number:
AG00129M
Chemical Name:
4H-Indol-4-one, 1,5,6,7-tetrahydro-1-(phenylmethyl)-
CAS Number:
13671-74-4
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
1-benzyl-6,7-dihydro-5H-indol-4-one
InChI:
InChI=1S/C15H15NO/c17-15-8-4-7-14-13(15)9-10-16(14)11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2
InChI Key:
XQFYFKMPBWSFOP-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1ccn2Cc1ccccc1
NSC Number:
131743
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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