Benzaldehyde Diethyl Acetal

CAT: 0024-sc-485476Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-485476Size:25 g

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CAS Number

774-48-1

Chemical Information

(Diethoxymethyl)benzene

CAS Number	774-48-1
PubChem CID	69884
IUPAC Name	diethoxymethylbenzene
Molecular Formula	C11H16O2
Molecular Weight	180.24
XLogP	2.3
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	113

SMILES

CCOC(C1=CC=CC=C1)OCC

InChI

InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

InChIKey

MAQMEXSLUSZDQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 774-48-1

CID: 69884

Formula: C11H16O2

MW: 180.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.24
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	180.115029749
Monoisotopic Mass	180.115029749
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	113
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-257124	Benzaldehyde dimethyl acetal
sc-234002	Benzyloxyacetaldehyde diethyl acetal
sc-239511	Chloroacetaldehyde diethyl acetal
sc-236394	Phthalimidoacetaldehyde diethyl acetal
sc-487689	Isobutyraldehyde diethyl acetal
sc-252516A	Bromoacetaldehyde diethyl acetal
sc-250788	Propionaldehyde diethyl acetal
sc-278705	Anilinoacetaldehyde diethyl acetal
sc-234586	Dichloroacetaldehyde diethyl acetal
sc-220453	γ-Methylaminobutyraldehyde, Diethyl Acetal

Catalog	Name
OR936523-01	Benzaldehyde diethyl acetal
HY-W150644S	Benzaldehyde diethyl acetal-d10
AR-A01131-01	Acetal (Acetaldehyde Diethyl Acetal)
FB10074-01	Benzaldehyde dimethyl acetal
RG-D090224-01	Benzaldehyde Dibenzyl Acetal
463062-01	Propionaldehyde Diethyl Acetal
451257-01	Glutaraldehydonitrile Diethyl Acetal
447237-01	Dimethylaminoacetaldehyde Diethyl Acetal
TRC-A191205-1G	Acrolein Diethyl Acetal
OR1029328-01	Hexaldehyde Diethyl Acetal