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89192-83-6 | Benzonitrile, 4-[(2-propenylimino)methyl]-
CAS No: 89192-83-6 Catalog No: AG003VZL MDL No:
Product Description
Catalog Number:
AG003VZL
Chemical Name:
Benzonitrile, 4-[(2-propenylimino)methyl]-
CAS Number:
89192-83-6
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
4-(prop-2-enyliminomethyl)benzonitrile
InChI:
InChI=1S/C11H10N2/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h2-6,9H,1,7H2
InChI Key:
YMKLGUJRSFYOGO-UHFFFAOYSA-N
SMILES:
C=CCN=Cc1ccc(cc1)C#N
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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