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21962-45-8 | 4-Formyl-3-methoxybenzonitrile
CAS No: 21962-45-8 Catalog No: AG0037JB MDL No:MFCD07779491
Product Description
Catalog Number:
AG0037JB
Chemical Name:
4-Formyl-3-methoxybenzonitrile
CAS Number:
21962-45-8
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD07779491
IUPAC Name:
4-formyl-3-methoxybenzonitrile
InChI:
InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3
InChI Key:
ZXENVSJZOHXCKL-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1C=O
EC Number:
804-777-4
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:
1.3
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