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Home > Indoles and Oxindole > 20955-76-4
20955-76-4 | 4H-Indol-4-one, 1,5,6,7-tetrahydro-1,6,6-trimethyl-
CAS No: 20955-76-4 Catalog No: AG002KB2 MDL No:MFCD01444584
Product Description
Catalog Number:
AG002KB2
Chemical Name:
4H-Indol-4-one, 1,5,6,7-tetrahydro-1,6,6-trimethyl-
CAS Number:
20955-76-4
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD01444584
IUPAC Name:
1,6,6-trimethyl-5,7-dihydroindol-4-one
InChI:
InChI=1S/C11H15NO/c1-11(2)6-9-8(10(13)7-11)4-5-12(9)3/h4-5H,6-7H2,1-3H3
InChI Key:
XERXNLCMWZDYTI-UHFFFAOYSA-N
SMILES:
Cn1ccc2c1CC(C)(C)CC2=O
NSC Number:
131679
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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