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26327-69-5 | 1-Pyrrolidineethanol, α-[[2-(2-methylphenoxy)phenoxy]methyl]-, hydrochloride (1:1)
CAS No: 26327-69-5 Catalog No: AG002SRG MDL No:
Product Description
Catalog Number:
AG002SRG
Chemical Name:
1-Pyrrolidineethanol, α-[[2-(2-methylphenoxy)phenoxy]methyl]-, hydrochloride (1:1)
CAS Number:
26327-69-5
Molecular Formula:
C20H26ClNO3
Molecular Weight:
363.8783
IUPAC Name:
1-[2-(2-methylphenoxy)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
InChI:
InChI=1S/C20H25NO3.ClH/c1-16-8-2-3-9-18(16)24-20-11-5-4-10-19(20)23-15-17(22)14-21-12-6-7-13-21;/h2-5,8-11,17,22H,6-7,12-15H2,1H3;1H
InChI Key:
JHLPZHLDLULVAT-UHFFFAOYSA-N
SMILES:
OC(CN1CCCC1)COc1ccccc1Oc1ccccc1C.Cl
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.16g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.882g/mol
Monoisotopic Mass:
363.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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