Home Nitriles Methoxy-phenyl-acetonitrile

Methoxy-phenyl-acetonitrile

CAS No.:
13031-13-5
Catalog Number:
AG00JRF7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
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Product Description
Catalog Number:
AG00JRF7
Chemical Name:
Methoxy-phenyl-acetonitrile
CAS Number:
13031-13-5
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD21684468
IUPAC Name:
2-methoxy-2-phenylacetonitrile
InChI:
InChI=1S/C9H9NO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,1H3
InChI Key:
HYXJXCNHNYUWAZ-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)C#N
NSC Number:
266224
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties