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14007-30-8 | Phenol, 4,4'-(1-methylpentylidene)bis-
CAS No: 14007-30-8 Catalog No: AG001BZB MDL No:
Product Description
Catalog Number:
AG001BZB
Chemical Name:
Phenol, 4,4'-(1-methylpentylidene)bis-
CAS Number:
14007-30-8
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
IUPAC Name:
4-[2-(4-hydroxyphenyl)hexan-2-yl]phenol
InChI:
InChI=1S/C18H22O2/c1-3-4-13-18(2,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-20H,3-4,13H2,1-2H3
InChI Key:
ZQTPHEAGPRFALE-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccc(cc1)O)(c1ccc(cc1)O)C
EC Number:
237-812-1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.372g/mol
Monoisotopic Mass:
270.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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