CAS 6175-45-7|2,2-diethoxyacetophenone|2,2-Diethoxy-1-phenylethan-1-one|2,2-diethoxy-1-phenylethan-1-one|2,2-Diethoxyacetophenone|α,α-二乙氧基苯乙酮|2,2-Diethoxyacetophenone|α,α-Diethoxyacetophe...

General Information

Structure

Molecular Formula

C₁₂H₁₆O₃

Molecular Mass

208.25364

Exact Mass

208.10994437

Charge

InChI

InChI=1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3

InChIKey

PIZHFBODNLEQBL-UHFFFAOYSA-N

Canonic Smiles

CCOC(C(=O)c1ccccc1)OCC

Isomeric Smiles

O=C(c1ccccc1)C(OCC)OCC

Calculated Properties

JChem

Acid pKa

18.37263

H Acceptors

H Donor

LogD (pH = 5.5)

2.4247744

LogD (pH = 7.4)

2.4247744

Log P

2.4247744

Molar Refractivity

58.361

Polarizability

22.808935

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,2-Diethoxy-1-phenylethan-1-one2,2-Diethoxyacetophenoneα,α-Diethoxyacetophenone2,2-二乙氧基苯乙酮Phenylglyoxal 2-diethyl acetal2,2-二乙氧基-1-苯己酮2,2-Diethoxyacetophenoneα,α-二乙氧基苯乙酮2,2-diethoxy-1-phenylethanonePhenylglyoxal diethyl acetal

IUPAC Traditional name

2,2-diethoxyacetophenone

IUPAC name

2,2-diethoxy-1-phenylethan-1-one

Names and Identifiers

Registration numbers

PubChem SID

2485361116204308324858869

CAS Number

6175-45-7

MDL Number

MFCD00009659