(2,2-Diethoxyethyl) benzene

CAT: 0127-OR96173-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR96173-01Size:250 mg

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CAS Number

6314-97-2

MDL Number

MFCD00129694

Purity

96%

Smiles

CCOC(OCC)CC1=CC=CC=C1

Chemical Information

Phenylacetaldehyde diethyl acetal

CAS Number	6314-97-2
PubChem CID	80584
IUPAC Name	2,2-diethoxyethylbenzene
Molecular Formula	C12H18O2
Molecular Weight	194.27
XLogP	2.8
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	124

SMILES

CCOC(CC1=CC=CC=C1)OCC

InChI

InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

InChIKey

FYERTDTXGGOMGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6314-97-2

CID: 80584

Formula: C12H18O2

MW: 194.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.27
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	194.130679813
Monoisotopic Mass	194.130679813
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	124
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
OR1067030-01	1- (2,2-Diethoxyethyl) pyrrolidine
OR89732-01	4- (2,2-Diethoxyethyl) morpholine
OR28010	N1- (2,2-diethoxyethyl) ethanediamide
OR1054147-01	N- (2,2-Diethoxyethyl) aniline
OR17673-01	Bis (2,2-diethoxyethyl) disulphide
OR0080-01	1- (2,2-Diethoxyethyl) piperazine
OR1070593-01	1- (2,2-Diethoxyethyl) piperidine
OR1038323-01	(2,2-Diethoxyethyl) (ethyl) amine
OR6499-01	N- (2,2-Diethoxyethyl) phthalimide
OR10703-01	Diethyl (2,2-diethoxyethyl) phosphonate

Catalog	Name
EEC95892-01	1- (2,2-Diethoxyethyl) -4- (trifluoromethyl) benzene
UAC15261-01	1- (2,2-Diethoxyethyl) -3- (trifluoromethyl) benzene
THC33333-01	1-tert-Butyl-4- (2,2-diethoxyethyl) benzene
HBA43831-01	(2,2-Diethoxyethoxy) benzene
sc-225557	(2,2-Dichlorocyclopropyl) benzene
AR-E01173-01	(2,2-Dichloroethylsulfonyl) benzene
FD80364-01	(2,2-Difluorocyclopropyl) Benzene
EAA36900-01	(2,2,2-Trimethoxyethyl) benzene
GAA92644-01	(2-Azidoethyl) benzene
159454	(2-Bromoethyl) benzene