200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89059-51-8
89059-51-8 | 2-Cyclohexen-1-one, 6-acetyl-3-(2-hydroxy-4-methoxyphenyl)-5-phenyl-
CAS No: 89059-51-8 Catalog No: AG00412P MDL No:
Product Description
Catalog Number:
AG00412P
Chemical Name:
2-Cyclohexen-1-one, 6-acetyl-3-(2-hydroxy-4-methoxyphenyl)-5-phenyl-
CAS Number:
89059-51-8
Molecular Formula:
C21H20O4
Molecular Weight:
336.3811
IUPAC Name:
6-acetyl-3-(2-hydroxy-4-methoxyphenyl)-5-phenylcyclohex-2-en-1-one
InChI:
InChI=1S/C21H20O4/c1-13(22)21-18(14-6-4-3-5-7-14)10-15(11-20(21)24)17-9-8-16(25-2)12-19(17)23/h3-9,11-12,18,21,23H,10H2,1-2H3
InChI Key:
ZXAPCILMGQJEIE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)O)C1=CC(=O)C(C(C1)c1ccccc1)C(=O)C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.387g/mol
Monoisotopic Mass:
336.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.