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20816-78-8 | 1-Naphthalenecarbonitrile, 5-hydroxy-
CAS No: 20816-78-8 Catalog No: AG002JIW MDL No:MFCD17012230
Product Description
Catalog Number:
AG002JIW
Chemical Name:
1-Naphthalenecarbonitrile, 5-hydroxy-
CAS Number:
20816-78-8
Molecular Formula:
C11H7NO
Molecular Weight:
169.1794
MDL Number:
MFCD17012230
IUPAC Name:
5-hydroxynaphthalene-1-carbonitrile
InChI:
InChI=1S/C11H7NO/c12-7-8-3-1-5-10-9(8)4-2-6-11(10)13/h1-6,13H
InChI Key:
DAWMAWYJUCCMHQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cccc2O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.183g/mol
Monoisotopic Mass:
169.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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