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52805-46-6 | 3-Hydroxy-4-methoxybenzonitrile
CAS No: 52805-46-6 Catalog No: AG003JJP MDL No:MFCD02258854
Product Description
Catalog Number:
AG003JJP
Chemical Name:
3-Hydroxy-4-methoxybenzonitrile
CAS Number:
52805-46-6
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD02258854
IUPAC Name:
3-hydroxy-4-methoxybenzonitrile
InChI:
InChI=1S/C8H7NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3
InChI Key:
ASQHIJLQYYFUDN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)O)OC
EC Number:
689-783-3
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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