200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 69595-03-5
69595-03-5 | 2,6,6-Trimethyl-6,7-dihydro-1H-indol-4(5H)-one
CAS No: 69595-03-5 Catalog No: AG005WBG MDL No:MFCD00129627
Product Description
Catalog Number:
AG005WBG
Chemical Name:
2,6,6-Trimethyl-6,7-dihydro-1H-indol-4(5H)-one
CAS Number:
69595-03-5
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD00129627
IUPAC Name:
2,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
InChI:
InChI=1S/C11H15NO/c1-7-4-8-9(12-7)5-11(2,3)6-10(8)13/h4,12H,5-6H2,1-3H3
InChI Key:
UISMCSZGMQXHCU-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1cc([nH]2)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.