Products for Research Use Only
RegisterLogin

4,4-Diethoxy-3-hydroxybutanenitrile

CAT: 0926-TFA70630-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-TFA70630-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
143706-30-3
MDL Number
MFCD31718414
Smiles
CCOC (OCC) C (O) CC#N
Molecular Formula
C8H15NO3
Molecular Weight
173.2 g/mol
Controlled
No

Chemical Information

4,4-Diethoxy-3-hydroxybutanenitrile
CAS Number143706-30-3
PubChem CID11805227
IUPAC Name4,4-diethoxy-3-hydroxybutanenitrile
Molecular FormulaC8H15NO3
Molecular Weight173.21
XLogP-0.1
Topological Polar Surface Area62.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity146
SMILES
CCOC(C(CC#N)O)OCC
InChI
InChI=1S/C8H15NO3/c1-3-11-8(12-4-2)7(10)5-6-9/h7-8,10H,3-5H2,1-2H3
InChIKey
DKSXFLVRPHPQLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4-Diethoxy-3-hydroxybutanenitrile
CAS: 143706-30-3
CID: 11805227
Formula: C8H15NO3
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass173.10519334
Monoisotopic Mass173.10519334
Topological Polar Surface Area62.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HCA16585-014,4,4-Trifluoro-3-hydroxybutanenitrile
EMB97532-014,4,4-Trifluoro-3- (furan-2-yl) -3-hydroxybutanenitrile
KAA49509Ethyl 4,4-diethoxy-3-oxobutanoate
TSA29133-013,4-Diethoxy-5-iodobenzaldehyde
VDA82588-013,4-Diethoxy-2-fluoroaniline
HSA492762- (3,4-Diethoxy-phenyl) -ethylamine hydrochloride
JFC43126-01Ethyl 4,4-diethoxy-2-fluorobutanoate
NEA475654,5-Diethoxy-2-nitroaniline
ZDA85524-011,4-Diethoxy-2-isothiocyanatobenzene
JFC42999-01Ethyl 4,4-diethoxy-2,2-difluorobutanoate

Alternative Products

CatalogName
sc-349763A4,4,4-trifluoro-3-hydroxybutanenitrile
OR78626-014-Hydroxybutanenitrile
RG-H052414-01(S) -4-Chloro-3-Hydroxybutanenitrile
AN EU 2256-01(3R) -4-chloro-3-hydroxybutanenitrile
sc-349755A4,4,4-trifluoro-3- (2-furyl) -3-hydroxybutanenitrile
sc-3360474- (3,4-Diethoxy-benzyloxy) -benzaldehyde
sc-3440253- (1,3-benzothiazol-2-yl) -4,4,4-trifluoro-3-hydroxybutanenitrile
OR2847-013-Hydroxybutanenitrile
OR3228933,4-Diethoxy-n-hydroxybenzamidine
PC1018702-012,4-Diethoxy-3-fluorobenzaldehyde

Popular Products