200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113588-12-8
113588-12-8 | Butane, tetrakis(hydroxyphenyl)- (9CI)
CAS No: 113588-12-8 Catalog No: AG00092Z MDL No:
Product Description
Catalog Number:
AG00092Z
Chemical Name:
Butane, tetrakis(hydroxyphenyl)- (9CI)
CAS Number:
113588-12-8
Molecular Formula:
C28H26O4
Molecular Weight:
426.5036
IUPAC Name:
2-[1,1,1-tris(2-hydroxyphenyl)butan-2-yl]phenol
InChI:
InChI=1S/C28H26O4/c1-2-20(19-11-3-7-15-24(19)29)28(21-12-4-8-16-25(21)30,22-13-5-9-17-26(22)31)23-14-6-10-18-27(23)32/h3-18,20,29-32H,2H2,1H3
InChI Key:
JNAZWELHQAGDGS-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C(C(c1ccccc1O)(c1ccccc1O)C)(c1ccccc1O)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.183g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
426.512g/mol
Monoisotopic Mass:
426.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.