Name: Name:4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile
Brand: Angene
SKU: AG005CRN
Rating: 90 (10 reviews)

4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile

CAS No.:

74240-65-6

Catalog Number:

AG005CRN

Molecular Formula:

C15H19NO2

Molecular Weight:

245.3169

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United States

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Catalog Number:

AG005CRN

Chemical Name:

4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile

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

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.322g/mol

Monoisotopic Mass:

245.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3