200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 79363-65-8
79363-65-8 | 1,3-Butanedione, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No: 79363-65-8 Catalog No: AG005KA8 MDL No:
Product Description
Catalog Number:
AG005KA8
Chemical Name:
1,3-Butanedione, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS Number:
79363-65-8
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione
InChI:
InChI=1S/C13H20O3/c1-8-5-10(15)7-13(3,4)12(8)11(16)6-9(2)14/h10,15H,5-7H2,1-4H3
InChI Key:
YXFUZWMZCJEIRZ-UHFFFAOYSA-N
SMILES:
OC1CC(=C(C(C1)(C)C)C(=O)CC(=O)C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Diterpenes, ionol-derived, and flavone glycosides from Podocarpus elongatus. | Phytochemistry 20120401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.