Home Other Building Blocks 2,2-Bis(4-hydroxy-3-methylphenyl)propane

2,2-Bis(4-hydroxy-3-methylphenyl)propane

CAS No.:
79-97-0
Catalog Number:
AG003B34
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(GC)
1 week
United States
$105
- +
100g
>98.0%(GC)
1 week
United States
$232
- +
500g
>98.0%(GC)
1 week
United States
$617
- +
Product Description
Catalog Number:
AG003B34
Chemical Name:
2,2-Bis(4-hydroxy-3-methylphenyl)propane
CAS Number:
79-97-0
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
MDL Number:
MFCD00002232
IUPAC Name:
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
InChI:
InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
InChI Key:
YMTYZTXUZLQUSF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C)C(c1ccc(c(c1)C)O)(C)C
EC Number:
201-240-0
UNII:
98817I7XJ2
NSC Number:
408489
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERα-selective antagonist. Bioorganic & medicinal chemistry letters 20130715
Biodegradation of bisphenol A and related compounds by Sphingomonas sp. strain BP-7 isolated from seawater. Bioscience, biotechnology, and biochemistry 20070101
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Biodegradation of a variety of bisphenols under aerobic and anaerobic conditions. Water science and technology : a journal of the International Association on Water Pollution Research 20060101
Properties