200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 69818-23-1
69818-23-1 | 3,5-Cyclohexadiene-1,2-dione,4-methoxy-
CAS No: 69818-23-1 Catalog No: AG005HNU MDL No:
Product Description
Catalog Number:
AG005HNU
Chemical Name:
3,5-Cyclohexadiene-1,2-dione,4-methoxy-
CAS Number:
69818-23-1
Molecular Formula:
C7H6O3
Molecular Weight:
138.1207
IUPAC Name:
4-methoxycyclohexa-3,5-diene-1,2-dione
InChI:
InChI=1S/C7H6O3/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChI Key:
KFQRJXIFGJGHTO-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)C(=O)C=C1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.122g/mol
Monoisotopic Mass:
138.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Electronic fluxes during Diels-Alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory. | Journal of computational chemistry 20121115 |
Related Products
© 2019 Angene International Limited. All rights Reserved.