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848696-63-9 | Phenol, 3,3'-methylenebis[(1,1-dimethylethyl)-
CAS No: 848696-63-9 Catalog No: AG004QMX MDL No:
Product Description
Catalog Number:
AG004QMX
Chemical Name:
Phenol, 3,3'-methylenebis[(1,1-dimethylethyl)-
CAS Number:
848696-63-9
Molecular Formula:
C21H28O2
Molecular Weight:
312.4458
IUPAC Name:
2-tert-butyl-3-[(2-tert-butyl-3-hydroxyphenyl)methyl]phenol
InChI:
InChI=1S/C21H28O2/c1-20(2,3)18-14(9-7-11-16(18)22)13-15-10-8-12-17(23)19(15)21(4,5)6/h7-12,22-23H,13H2,1-6H3
InChI Key:
LAWPGBHEKVVALM-UHFFFAOYSA-N
SMILES:
CC(c1c(cccc1O)Cc1cccc(c1C(C)(C)C)O)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.453g/mol
Monoisotopic Mass:
312.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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