200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87698-51-9
87698-51-9 | 1,3-Cyclohexanedione, 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-
CAS No: 87698-51-9 Catalog No: AG004JOX MDL No:
Product Description
Catalog Number:
AG004JOX
Chemical Name:
1,3-Cyclohexanedione, 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-methyl-
CAS Number:
87698-51-9
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
2-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylcyclohexane-1,3-dione
InChI:
InChI=1S/C12H18O4/c1-12(6-5-11-15-7-8-16-11)9(13)3-2-4-10(12)14/h11H,2-8H2,1H3
InChI Key:
CJOLMPCACCQXID-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)C1(C)CCC1OCCO1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.