200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89845-28-3
89845-28-3 | 2,5-Cyclohexadiene-1,4-dione, 2-(phenylethynyl)-
CAS No: 89845-28-3 Catalog No: AG003YR5 MDL No:
Product Description
Catalog Number:
AG003YR5
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-(phenylethynyl)-
CAS Number:
89845-28-3
Molecular Formula:
C14H8O2
Molecular Weight:
208.2121
IUPAC Name:
2-(2-phenylethynyl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C14H8O2/c15-13-8-9-14(16)12(10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H
InChI Key:
BPZAJGZVHQKHSL-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C(=C1)C#Cc1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.216g/mol
Monoisotopic Mass:
208.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^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.