Home Nitriles 4-(3-oxoprop-1-en-1-yl)benzonitrile

4-(3-oxoprop-1-en-1-yl)benzonitrile

CAS No.:
95759-33-4
Catalog Number:
AG01A36R
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
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Product Description
Catalog Number:
AG01A36R
Chemical Name:
4-(3-oxoprop-1-en-1-yl)benzonitrile
CAS Number:
95759-33-4
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD07772898
IUPAC Name:
4-(3-oxoprop-1-enyl)benzonitrile
InChI:
InChI=1S/C10H7NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h1-7H
InChI Key:
RYMCARXOHQPZAX-UHFFFAOYSA-N
SMILES:
O=CC=Cc1ccc(cc1)C#N
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  
Properties