200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 188956-95-8
188956-95-8 | Ethanedioic acid, 1,2-bis(3-methyl-2-buten-1-yl) ester
CAS No: 188956-95-8 Catalog No: AG002HKR MDL No:
Product Description
Catalog Number:
AG002HKR
Chemical Name:
Ethanedioic acid, 1,2-bis(3-methyl-2-buten-1-yl) ester
CAS Number:
188956-95-8
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
bis(3-methylbut-2-enyl) oxalate
InChI:
InChI=1S/C12H18O4/c1-9(2)5-7-15-11(13)12(14)16-8-6-10(3)4/h5-6H,7-8H2,1-4H3
InChI Key:
MFSXKBRZHHQBLG-UHFFFAOYSA-N
SMILES:
O=C(C(=O)OCC=C(C)C)OCC=C(C)C
Properties
Complexity:
273
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:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.