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123226-30-2 | Acetonitrile, 2-[3-(hydroxymethyl)phenoxy]-
CAS No: 123226-30-2 Catalog No: AG000K6E MDL No:
Product Description
Catalog Number:
AG000K6E
Chemical Name:
Acetonitrile, 2-[3-(hydroxymethyl)phenoxy]-
CAS Number:
123226-30-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
2-[3-(hydroxymethyl)phenoxy]acetonitrile
InChI:
InChI=1S/C9H9NO2/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6,11H,5,7H2
InChI Key:
FQYJUMVWCVSLPH-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc(c1)CO
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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