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14517-91-0 | Benzonitrile, 4-(2-methyl-1,3-dioxolan-2-yl)-
CAS No: 14517-91-0 Catalog No: AG001KNV MDL No:MFCD16658604
Product Description
Catalog Number:
AG001KNV
Chemical Name:
Benzonitrile, 4-(2-methyl-1,3-dioxolan-2-yl)-
CAS Number:
14517-91-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD16658604
IUPAC Name:
4-(2-methyl-1,3-dioxolan-2-yl)benzonitrile
InChI:
InChI=1S/C11H11NO2/c1-11(13-6-7-14-11)10-4-2-9(8-12)3-5-10/h2-5H,6-7H2,1H3
InChI Key:
VFXLUFBKKPWZEM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(C)OCCO1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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