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1243281-23-3 | Benzonitrile, 3-hydroxy-2-methoxy-
CAS No: 1243281-23-3 Catalog No: AG000LV5 MDL No:MFCD16998697
Product Description
Catalog Number:
AG000LV5
Chemical Name:
Benzonitrile, 3-hydroxy-2-methoxy-
CAS Number:
1243281-23-3
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD16998697
IUPAC Name:
3-hydroxy-2-methoxybenzonitrile
InChI:
InChI=1S/C8H7NO2/c1-11-8-6(5-9)3-2-4-7(8)10/h2-4,10H,1H3
InChI Key:
JNATUNYPQLXCCI-UHFFFAOYSA-N
SMILES:
COc1c(C#N)cccc1O
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:
1.3
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