200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114365-45-6
114365-45-6 | 1,2-Benzenedimethanol, 3,4,5-tris(1,1-dimethylethyl)-
CAS No: 114365-45-6 Catalog No: AG000B6B MDL No:
Product Description
Catalog Number:
AG000B6B
Chemical Name:
1,2-Benzenedimethanol, 3,4,5-tris(1,1-dimethylethyl)-
CAS Number:
114365-45-6
Molecular Formula:
C20H34O2
Molecular Weight:
306.4828
IUPAC Name:
[3,4,5-tritert-butyl-2-(hydroxymethyl)phenyl]methanol
InChI:
InChI=1S/C20H34O2/c1-18(2,3)15-10-13(11-21)14(12-22)16(19(4,5)6)17(15)20(7,8)9/h10,21-22H,11-12H2,1-9H3
InChI Key:
BLITWNURMAUSSE-UHFFFAOYSA-N
SMILES:
OCc1cc(c(c(c1CO)C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.256g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.49g/mol
Monoisotopic Mass:
306.256g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.