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6812-16-4 | 2-Hydroxy-3-methoxybenzonitrile
CAS No: 6812-16-4 Catalog No: AG0036M1 MDL No:MFCD02261936
Product Description
Catalog Number:
AG0036M1
Chemical Name:
2-Hydroxy-3-methoxybenzonitrile
CAS Number:
6812-16-4
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD02261936
IUPAC Name:
2-hydroxy-3-methoxybenzonitrile
InChI:
InChI=1S/C8H7NO2/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,10H,1H3
InChI Key:
NILKMGHUFOHVMU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1O)C#N
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:
1.4
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