200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116200-77-2
116200-77-2 | Phenol, 2-(1,1-dimethylethyl)-4-methyl-, sulfite (2:1) (9CI)
CAS No: 116200-77-2 Catalog No: AG000BVM MDL No:
Product Description
Catalog Number:
AG000BVM
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-4-methyl-, sulfite (2:1) (9CI)
CAS Number:
116200-77-2
Molecular Formula:
C22H34O5S
Molecular Weight:
410.5674
IUPAC Name:
2-tert-butyl-4-methylphenol;sulfurous acid
InChI:
InChI=1S/2C11H16O.H2O3S/c2*1-8-5-6-10(12)9(7-8)11(2,3)4;1-4(2)3/h2*5-7,12H,1-4H3;(H2,1,2,3)
InChI Key:
KYWFDJYNFDJMIW-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(C)(C)C)O.Cc1ccc(c(c1)C(C)(C)C)O.OS(=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.213g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
410.569g/mol
Monoisotopic Mass:
410.213g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.