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23194-66-3 | Benzeneacetonitrile, 3-methoxy-α-oxo-
CAS No: 23194-66-3 Catalog No: AG002MHP MDL No:MFCD06658461
Product Description
Catalog Number:
AG002MHP
Chemical Name:
Benzeneacetonitrile, 3-methoxy-α-oxo-
CAS Number:
23194-66-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD06658461
IUPAC Name:
3-methoxybenzoyl cyanide
InChI:
InChI=1S/C9H7NO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,1H3
InChI Key:
XXPLCTVJWFATQO-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1cccc(c1)OC
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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