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3,3-Diethoxy-1-propanol

CAT: 0572-TRC-D442995-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D442995-250MGSize:250 mg
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CAS Number
16777-87-0
Synonyms
3,3-Diethoxypropan-1-ol; 3,3-Diethoxypropanol;3-Hydroxypropanal Diethyl Acetal; 3-Hydroxypropionaldehyde DIethyl Acetal
Hazard Statement
No Data Available
Smiles
CCOC(CCO)OCC
Molecular Formula
C7H16O3
Molecular Weight
148.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,3-Diethoxy-1-propanol
CAS Number16777-87-0
PubChem CID140135
IUPAC Name3,3-diethoxypropan-1-ol
Molecular FormulaC7H16O3
Molecular Weight148.20
XLogP0.5
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity59
SMILES
CCOC(CCO)OCC
InChI
InChI=1S/C7H16O3/c1-3-9-7(5-6-8)10-4-2/h7-8H,3-6H2,1-2H3
InChIKey
ASERXEZXVIJBRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Diethoxy-1-propanol
CAS: 16777-87-0
CID: 140135
Formula: C7H16O3
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass148.109944368
Monoisotopic Mass148.109944368
Topological Polar Surface Area38.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity59.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes