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67423-45-4

67423-45-4 | 4-Hydroxy-3-methoxyphenylglycol hemipiperazinium salt

CAS No: 67423-45-4 Catalog No: AG006HHT MDL No:

Product Description

Catalog Number:
AG006HHT
Chemical Name:
4-Hydroxy-3-methoxyphenylglycol hemipiperazinium salt
CAS Number:
67423-45-4
Molecular Formula:
C22H34N2O8
Molecular Weight:
454.5140
IUPAC Name:
1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol;piperazine
InChI:
InChI=1S/2C9H12O4.C4H10N2/c2*1-13-9-4-6(8(12)5-10)2-3-7(9)11;1-2-6-4-3-5-1/h2*2-4,8,10-12H,5H2,1H3;5-6H,1-4H2
InChI Key:
KCECBJRHWSOTMR-UHFFFAOYSA-N
SMILES:
C1CNCCN1.OCC(c1ccc(c(c1)OC)O)O.OCC(c1ccc(c(c1)OC)O)O
EC Number:
266-689-7

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.232g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
454.52g/mol
Monoisotopic Mass:
454.232g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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