Home Nitriles 1,2,3,4-tetrahydronaphthalene-2-carbonitrile

1,2,3,4-tetrahydronaphthalene-2-carbonitrile

CAS No.:
51849-33-3
Catalog Number:
AG00DJA3
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
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Product Description
Catalog Number:
AG00DJA3
Chemical Name:
1,2,3,4-tetrahydronaphthalene-2-carbonitrile
CAS Number:
51849-33-3
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD12152092
IUPAC Name:
1,2,3,4-tetrahydronaphthalene-2-carbonitrile
InChI:
InChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,9H,5-7H2
InChI Key:
COWCJTPCHIGSPT-UHFFFAOYSA-N
SMILES:
N#CC1CCc2c(C1)cccc2
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties