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18787-04-7 | Benzeneacetonitrile, α-hydroxy-α-[(3-methoxyphenoxy)methyl]-
CAS No: 18787-04-7 Catalog No: AG002GJL MDL No:
Product Description
Catalog Number:
AG002GJL
Chemical Name:
Benzeneacetonitrile, α-hydroxy-α-[(3-methoxyphenoxy)methyl]-
CAS Number:
18787-04-7
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
2-hydroxy-3-(3-methoxyphenoxy)-2-phenylpropanenitrile
InChI:
InChI=1S/C16H15NO3/c1-19-14-8-5-9-15(10-14)20-12-16(18,11-17)13-6-3-2-4-7-13/h2-10,18H,12H2,1H3
InChI Key:
VPHWMIVTJMMPDO-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)(COc1cccc(c1)OC)O
NSC Number:
93364
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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