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Home > Indoles and Oxindole > 10131-09-6
10131-09-6 | 4H-Indol-4-one, 1,5,6,7-tetrahydro-6,6-dimethyl-3-phenyl-
CAS No: 10131-09-6 Catalog No: AG00047K MDL No:
Product Description
Catalog Number:
AG00047K
Chemical Name:
4H-Indol-4-one, 1,5,6,7-tetrahydro-6,6-dimethyl-3-phenyl-
CAS Number:
10131-09-6
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
IUPAC Name:
6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indol-4-one
InChI:
InChI=1S/C16H17NO/c1-16(2)8-13-15(14(18)9-16)12(10-17-13)11-6-4-3-5-7-11/h3-7,10,17H,8-9H2,1-2H3
InChI Key:
DXCLREJCALFRJQ-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1c(c[nH]2)c1ccccc1
Properties
Complexity:
330
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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