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102362-02-7 | Benzonitrile, 4-acetyl-2-methoxy-
CAS No: 102362-02-7 Catalog No: AG0007A1 MDL No:
Product Description
Catalog Number:
AG0007A1
Chemical Name:
Benzonitrile, 4-acetyl-2-methoxy-
CAS Number:
102362-02-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
4-acetyl-2-methoxybenzonitrile
InChI:
InChI=1S/C10H9NO2/c1-7(12)8-3-4-9(6-11)10(5-8)13-2/h3-5H,1-2H3
InChI Key:
CPSLCUWVXMXVNX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C#N)C(=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:
1.3
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