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116057-44-4 | Phenol, [(hydroxymethylphenyl)methyl][(hydroxyphenyl)methyl]- (9CI)
CAS No: 116057-44-4 Catalog No: AG000BI9 MDL No:
Product Description
Catalog Number:
AG000BI9
Chemical Name:
Phenol, [(hydroxymethylphenyl)methyl][(hydroxyphenyl)methyl]- (9CI)
CAS Number:
116057-44-4
Molecular Formula:
C21H20O3
Molecular Weight:
320.3817
IUPAC Name:
3-[[2-(hydroxymethyl)phenyl]methyl]-2-[(2-hydroxyphenyl)methyl]phenol
InChI:
InChI=1S/C21H20O3/c22-14-18-8-2-1-6-15(18)12-16-9-5-11-21(24)19(16)13-17-7-3-4-10-20(17)23/h1-11,22-24H,12-14H2
InChI Key:
IJDKGWGBMRVLFH-UHFFFAOYSA-N
SMILES:
OCc1ccccc1Cc1cccc(c1Cc1ccccc1O)O
Properties
Complexity:
372
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:
5
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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