200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 142131-90-6
142131-90-6 | 1,3-Dioxane-4,6-dione, 2-ethyl-2-phenyl-
CAS No: 142131-90-6 Catalog No: AG001HU1 MDL No:
Product Description
Catalog Number:
AG001HU1
Chemical Name:
1,3-Dioxane-4,6-dione, 2-ethyl-2-phenyl-
CAS Number:
142131-90-6
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
2-ethyl-2-phenyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C12H12O4/c1-2-12(9-6-4-3-5-7-9)15-10(13)8-11(14)16-12/h3-7H,2,8H2,1H3
InChI Key:
YXMQIJAHYGYTAQ-UHFFFAOYSA-N
SMILES:
CCC1(OC(=O)CC(=O)O1)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.