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141888-09-7 | Phenol, 4,4',4''-propylidynetris-
CAS No: 141888-09-7 Catalog No: AG001HBR MDL No:
Product Description
Catalog Number:
AG001HBR
Chemical Name:
Phenol, 4,4',4''-propylidynetris-
CAS Number:
141888-09-7
Molecular Formula:
C21H20O3
Molecular Weight:
320.3817
IUPAC Name:
4-[1,1-bis(4-hydroxyphenyl)propyl]phenol
InChI:
InChI=1S/C21H20O3/c1-2-21(15-3-9-18(22)10-4-15,16-5-11-19(23)12-6-16)17-7-13-20(24)14-8-17/h3-14,22-24H,2H2,1H3
InChI Key:
OLOKQMKXSWPVKZ-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)O)(c1ccc(cc1)O)c1ccc(cc1)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.388g/mol
Monoisotopic Mass:
320.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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