Home Nitriles 2-(4-formylphenyl)-2-methylpropanenitrile

2-(4-formylphenyl)-2-methylpropanenitrile

CAS No.:
1146695-65-9
Catalog Number:
AG01B1W6
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
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Product Description
Catalog Number:
AG01B1W6
Chemical Name:
2-(4-formylphenyl)-2-methylpropanenitrile
CAS Number:
1146695-65-9
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD21364688
IUPAC Name:
2-(4-formylphenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C11H11NO/c1-11(2,8-12)10-5-3-9(7-13)4-6-10/h3-7H,1-2H3
InChI Key:
UNFSWHAXPWPHPR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(C#N)(C)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties