Home Nitriles 4-acetyl-3-methoxybenzonitrile

4-acetyl-3-methoxybenzonitrile

CAS No.:
14221-78-4
Catalog Number:
AG01BEGR
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
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Product Description
Catalog Number:
AG01BEGR
Chemical Name:
4-acetyl-3-methoxybenzonitrile
CAS Number:
14221-78-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD24695719
IUPAC Name:
4-acetyl-3-methoxybenzonitrile
InChI:
InChI=1S/C10H9NO2/c1-7(12)9-4-3-8(6-11)5-10(9)13-2/h3-5H,1-2H3
InChI Key:
PUAYBCFNCMTGIV-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1C(=O)C
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties