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3957-22-0

3957-22-0 | 4-[2-[4-Hydroxy-3,5-Bis(Hydroxymethyl)Phenyl]Propan-2-Yl]-2,6-Bis(Hydroxymethyl)Phenol

CAS No: 3957-22-0 Catalog No: AG0038RS MDL No:MFCD00071732

Product Description

Catalog Number:
AG0038RS
Chemical Name:
4-[2-[4-Hydroxy-3,5-Bis(Hydroxymethyl)Phenyl]Propan-2-Yl]-2,6-Bis(Hydroxymethyl)Phenol
CAS Number:
3957-22-0
Molecular Formula:
C19H24O6
Molecular Weight:
348.3903
MDL Number:
MFCD00071732
IUPAC Name:
4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
InChI:
InChI=1S/C19H24O6/c1-19(2,15-3-11(7-20)17(24)12(4-15)8-21)16-5-13(9-22)18(25)14(6-16)10-23/h3-6,20-25H,7-10H2,1-2H3
InChI Key:
ZRIRUWWYQXWRNY-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1O)CO)C(c1cc(CO)c(c(c1)CO)O)(C)C
EC Number:
223-553-1

Properties

Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.157g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
348.395g/mol
Monoisotopic Mass:
348.157g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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