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131962-27-1 | Benzenemethanol, α-[(3-pyridinylmethoxy)methyl]-, hydrochloride (1:1)
CAS No: 131962-27-1 Catalog No: AG000ZZO MDL No:
Product Description
Catalog Number:
AG000ZZO
Chemical Name:
Benzenemethanol, α-[(3-pyridinylmethoxy)methyl]-, hydrochloride (1:1)
CAS Number:
131962-27-1
Molecular Formula:
C14H16ClNO2
Molecular Weight:
265.7353
IUPAC Name:
1-phenyl-2-(pyridin-3-ylmethoxy)ethanol;hydrochloride
InChI:
InChI=1S/C14H15NO2.ClH/c16-14(13-6-2-1-3-7-13)11-17-10-12-5-4-8-15-9-12;/h1-9,14,16H,10-11H2;1H
InChI Key:
UBERNDKGDDRLMZ-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)COCc1cccnc1.Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.737g/mol
Monoisotopic Mass:
265.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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