200,000+ products from a single source!
sales@angenechem.com
81229-31-4 | Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, methyl ester
CAS No: 81229-31-4 Catalog No: AG0054VN MDL No:
Product Description
Catalog Number:
AG0054VN
Chemical Name:
Butanoic acid, 3,3-bis[(1,1-dimethylethyl)dioxy]-, methyl ester
CAS Number:
81229-31-4
Molecular Formula:
C13H26O6
Molecular Weight:
278.3419
IUPAC Name:
methyl 3,3-bis(tert-butylperoxy)butanoate
InChI:
InChI=1S/C13H26O6/c1-11(2,3)16-18-13(7,9-10(14)15-8)19-17-12(4,5)6/h9H2,1-8H3
InChI Key:
KOVVCCYKQLYQTL-UHFFFAOYSA-N
SMILES:
COC(=O)CC(OOC(C)(C)C)(OOC(C)(C)C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.345g/mol
Monoisotopic Mass:
278.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.