Home Nitriles 3-methoxy-4-(3-oxopropoxy)benzonitrile

3-methoxy-4-(3-oxopropoxy)benzonitrile

CAS No.:
1343003-60-0
Catalog Number:
AG01ABXM
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG01ABXM
Chemical Name:
3-methoxy-4-(3-oxopropoxy)benzonitrile
CAS Number:
1343003-60-0
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD17280941
IUPAC Name:
3-methoxy-4-(3-oxopropoxy)benzonitrile
InChI:
InChI=1S/C11H11NO3/c1-14-11-7-9(8-12)3-4-10(11)15-6-2-5-13/h3-5,7H,2,6H2,1H3
InChI Key:
SRDJJBDLHZNBFW-UHFFFAOYSA-N
SMILES:
O=CCCOc1ccc(cc1OC)C#N
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties