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125418-83-9 | Acetonitrile, 2-(2-formylphenoxy)-
CAS No: 125418-83-9 Catalog No: AG000NOL MDL No:MFCD01157218
Product Description
Catalog Number:
AG000NOL
Chemical Name:
Acetonitrile, 2-(2-formylphenoxy)-
CAS Number:
125418-83-9
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD01157218
IUPAC Name:
2-(2-formylphenoxy)acetonitrile
InChI:
InChI=1S/C9H7NO2/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4,7H,6H2
InChI Key:
YHZIVCGNCKDLCF-UHFFFAOYSA-N
SMILES:
N#CCOc1ccccc1C=O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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