Home Nitriles 3,4-Diacetoxybenzonitrile

3,4-Diacetoxybenzonitrile

CAS No.:
203626-45-3
Catalog Number:
AG00I3U3
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00I3U3
Chemical Name:
3,4-Diacetoxybenzonitrile
CAS Number:
203626-45-3
MDL Number:
MFCD00017224
IUPAC Name:
(2-acetyloxy-4-cyanophenyl) acetate
InChI:
InChI=1S/C11H9NO4/c1-7(13)15-10-4-3-9(6-12)5-11(10)16-8(2)14/h3-5H,1-2H3
InChI Key:
OYRIDYHXQXSNCH-UHFFFAOYSA-N
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties