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74240-65-6 | Benzonitrile, 4-(trans-5-butyl-1,3-dioxan-2-yl)-
CAS No: 74240-65-6 Catalog No: AG005CRN MDL No:MFCD03065939
Product Description
Catalog Number:
AG005CRN
Chemical Name:
Benzonitrile, 4-(trans-5-butyl-1,3-dioxan-2-yl)-
CAS Number:
74240-65-6
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
MDL Number:
MFCD03065939
IUPAC Name:
4-(5-butyl-1,3-dioxan-2-yl)benzonitrile
InChI:
InChI=1S/C15H19NO2/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,13,15H,2-4,10-11H2,1H3
InChI Key:
ZCZHIMLDHBRGMF-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CO[C@H](OC1)c1ccc(cc1)C#N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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