200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 124350-67-0
124350-67-0 | Benzenecarboperoxoic acid, tert-hexyl ester
CAS No: 124350-67-0 Catalog No: AG000LXH MDL No:
Product Description
Catalog Number:
AG000LXH
Chemical Name:
Benzenecarboperoxoic acid, tert-hexyl ester
CAS Number:
124350-67-0
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
2-methylpentan-2-yl benzenecarboperoxoate
InChI:
InChI=1S/C13H18O3/c1-4-10-13(2,3)16-15-12(14)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChI Key:
WXDJDZIIPSOZAH-UHFFFAOYSA-N
SMILES:
CCCC(OOC(=O)c1ccccc1)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.