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89302-78-3 | Benzonitrile, 4-(1,2-propadienyl)-
CAS No: 89302-78-3 Catalog No: AG0040CN MDL No:
Product Description
Catalog Number:
AG0040CN
Chemical Name:
Benzonitrile, 4-(1,2-propadienyl)-
CAS Number:
89302-78-3
Molecular Formula:
C10H7N
Molecular Weight:
141.1693
IUPAC Name:
4-propa-1,2-dienylbenzonitrile
InChI:
InChI=1S/C10H7N/c1-2-3-9-4-6-10(8-11)7-5-9/h3-7H,1H2
InChI Key:
ZIYHYNTZMGJGAK-UHFFFAOYSA-N
SMILES:
C=C=Cc1ccc(cc1)C#N
Properties
Complexity:
206
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.173g/mol
Monoisotopic Mass:
141.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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