200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 85-95-0
85-95-0 | Benzoestrol
CAS No: 85-95-0 Catalog No: AG004W36 MDL No:
Product Description
Catalog Number:
AG004W36
Chemical Name:
Benzoestrol
CAS Number:
85-95-0
Molecular Formula:
C20H26O2
Molecular Weight:
298.4192
IUPAC Name:
4-[3-ethyl-4-(4-hydroxyphenyl)hexan-2-yl]phenol
InChI:
InChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3
InChI Key:
DUTFBSAKKUNBAL-UHFFFAOYSA-N
SMILES:
CCC(C(c1ccc(cc1)O)CC)C(c1ccc(cc1)O)C
NSC Number:
408889
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.193g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.426g/mol
Monoisotopic Mass:
298.193g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.