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132-75-2

132-75-2 | 1-Naphthaleneacetonitrile

CAS No: 132-75-2 Catalog No: AG00101D MDL No:MFCD00004041

Product Description

Catalog Number:
AG00101D
Chemical Name:
1-Naphthaleneacetonitrile
CAS Number:
132-75-2
Molecular Formula:
C12H9N
Molecular Weight:
167.2066
MDL Number:
MFCD00004041
IUPAC Name:
2-naphthalen-1-ylacetonitrile
InChI:
InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
InChI Key:
OQRMWUNUKVUHQO-UHFFFAOYSA-N
SMILES:
N#CCc1cccc2c1cccc2
EC Number:
205-078-1
UNII:
OV0P82P2R0
NSC Number:
9844

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.073g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.211g/mol
Monoisotopic Mass:
167.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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