Home Nitriles 1-(4-formylphenyl)cyclopropane-1-carbonitrile

1-(4-formylphenyl)cyclopropane-1-carbonitrile

CAS No.:
869977-34-4
Catalog Number:
AG01C5PS
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
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Product Description
Catalog Number:
AG01C5PS
Chemical Name:
1-(4-formylphenyl)cyclopropane-1-carbonitrile
CAS Number:
869977-34-4
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD20040026
IUPAC Name:
1-(4-formylphenyl)cyclopropane-1-carbonitrile
InChI:
InChI=1S/C11H9NO/c12-8-11(5-6-11)10-3-1-9(7-13)2-4-10/h1-4,7H,5-6H2
InChI Key:
WWJFHLHOOLLNBV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C1(CC1)C#N
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties