Home Other Building Blocks 4-METHYLPHENOXYACETONITRILE

4-METHYLPHENOXYACETONITRILE

CAS No.:
33901-44-9
Catalog Number:
AG00BYIG
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
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Product Description
Catalog Number:
AG00BYIG
Chemical Name:
4-METHYLPHENOXYACETONITRILE
CAS Number:
33901-44-9
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00068121
IUPAC Name:
2-(4-methylphenoxy)acetonitrile
InChI:
InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3
InChI Key:
GOCOKJDTFHEYKP-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1)C
Properties
Complexity:
150  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties