Home Other Building Blocks 4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE

4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE

CAS No.:
33143-92-9
Catalog Number:
AG00C0OS
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
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Product Description
Catalog Number:
AG00C0OS
Chemical Name:
4-[(1,1-DIMETHYLPROP-2-YNYL)OXY]BENZONITRILE
CAS Number:
33143-92-9
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD00174270
IUPAC Name:
4-(2-methylbut-3-yn-2-yloxy)benzonitrile
InChI:
InChI=1S/C12H11NO/c1-4-12(2,3)14-11-7-5-10(9-13)6-8-11/h1,5-8H,2-3H3
InChI Key:
BJBUSSBIFHSXBR-UHFFFAOYSA-N
SMILES:
C#CC(Oc1ccc(cc1)C#N)(C)C
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties