200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 860648-89-1
860648-89-1 | (3Z)-3-[(4-hydroxy-3-methoxy-5-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CAS No: 860648-89-1 Catalog No: AG00ITLS MDL No:MFCD05668727
Product Description
Catalog Number:
AG00ITLS
Chemical Name:
(3Z)-3-[(4-hydroxy-3-methoxy-5-methylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CAS Number:
860648-89-1
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD05668727
IUPAC Name:
(3Z)-3-[(4-hydroxy-3-methoxy-5-methylphenyl)methylidene]-1H-indol-2-one
InChI:
InChI=1S/C17H15NO3/c1-10-7-11(9-15(21-2)16(10)19)8-13-12-5-3-4-6-14(12)18-17(13)20/h3-9,19H,1-2H3,(H,18,20)/b13-8-
InChI Key:
GGYAMVBEDYKCLT-JYRVWZFOSA-N
SMILES:
COc1cc(/C=C/2\C(=O)Nc3c2cccc3)cc(c1O)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.