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85613-28-1

85613-28-1 | 3-[4-(1H-imidazol-2-yl)phenoxy]-1,2-Propanediol

CAS No: 85613-28-1 Catalog No: AG00G97P MDL No:

Product Description

Catalog Number:
AG00G97P
Chemical Name:
3-[4-(1H-imidazol-2-yl)phenoxy]-1,2-Propanediol
CAS Number:
85613-28-1
IUPAC Name:
3-[4-(1H-imidazol-2-yl)phenoxy]propane-1,2-diol
InChI:
InChI=1S/C12H14N2O3/c15-7-10(16)8-17-11-3-1-9(2-4-11)12-13-5-6-14-12/h1-6,10,15-16H,7-8H2,(H,13,14)
InChI Key:
QITBVXNICZOICT-UHFFFAOYSA-N

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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