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21962-47-0 | 2-Cyano-4-methoxybenzaldehyde
CAS No: 21962-47-0 Catalog No: AG003H44 MDL No:MFCD08275456
Product Description
Catalog Number:
AG003H44
Chemical Name:
2-Cyano-4-methoxybenzaldehyde
CAS Number:
21962-47-0
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD08275456
IUPAC Name:
2-formyl-5-methoxybenzonitrile
InChI:
InChI=1S/C9H7NO2/c1-12-9-3-2-7(6-11)8(4-9)5-10/h2-4,6H,1H3
InChI Key:
KEDMRUNNPUDXOQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(OC)ccc1C=O
Properties
Complexity:
206
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:
1.1
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