200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 14789-51-6
14789-51-6 | 1,3-Cyclopentanedione, 2-[2-(2,3-dihydro-5-methoxy-1H-inden-1-ylidene)ethyl]-2-methyl-
CAS No: 14789-51-6 Catalog No: AG001F9B MDL No:
Product Description
Catalog Number:
AG001F9B
Chemical Name:
1,3-Cyclopentanedione, 2-[2-(2,3-dihydro-5-methoxy-1H-inden-1-ylidene)ethyl]-2-methyl-
CAS Number:
14789-51-6
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
2-[2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl]-2-methylcyclopentane-1,3-dione
InChI:
InChI=1S/C18H20O3/c1-18(16(19)7-8-17(18)20)10-9-12-3-4-13-11-14(21-2)5-6-15(12)13/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChI Key:
ZSMTXUISYQDZIB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC2=CCC1(C)C(=O)CCC1=O
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.