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14377-68-5 | Cyclobutanecarbonitrile, 1-phenyl-
CAS No: 14377-68-5 Catalog No: AG001ICB MDL No:MFCD00019258
Product Description
Catalog Number:
AG001ICB
Chemical Name:
Cyclobutanecarbonitrile, 1-phenyl-
CAS Number:
14377-68-5
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD00019258
IUPAC Name:
1-phenylcyclobutane-1-carbonitrile
InChI:
InChI=1S/C11H11N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChI Key:
DHIDUDPFTZJPCQ-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)c1ccccc1
EC Number:
238-351-9
NSC Number:
125697
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:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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