Home Nitriles 2-(3-formylphenoxy)acetonitrile

2-(3-formylphenoxy)acetonitrile

CAS No.:
125418-90-8
Catalog Number:
AG019UC0
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
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Product Description
Catalog Number:
AG019UC0
Chemical Name:
2-(3-formylphenoxy)acetonitrile
CAS Number:
125418-90-8
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD07431451
IUPAC Name:
2-(3-formylphenoxy)acetonitrile
InChI:
InChI=1S/C9H7NO2/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6-7H,5H2
InChI Key:
HCIZCBYCDRJBSZ-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc(c1)C=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:
1.1  
Properties