Home Nitriles 4-(Hydroxymethyl)-1-naphthonitrile

4-(Hydroxymethyl)-1-naphthonitrile

CAS No.:
79996-90-0
Catalog Number:
AG005PVI
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
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Product Description
Catalog Number:
AG005PVI
Chemical Name:
4-(Hydroxymethyl)-1-naphthonitrile
CAS Number:
79996-90-0
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD06658458
IUPAC Name:
4-(hydroxymethyl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C12H9NO/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6,14H,8H2
InChI Key:
PZKDOSHWQBLVJW-UHFFFAOYSA-N
SMILES:
OCc1ccc(c2c1cccc2)C#N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties