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3-Butoxypropan-1-ol

CAT: 0127-OR1065162-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1065162-01Size:250 mg
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CAS Number
10215-33-5
MDL Number
MFCD01697212
Purity
99%
Smiles
OCCCOCCCC

Chemical Information

3-Butoxy-1-propanol

structure & RN given in first source

CAS Number10215-33-5
PubChem CID82457
IUPAC Name3-butoxypropan-1-ol
Molecular FormulaC7H16O2
Molecular Weight132.20
XLogP1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity46
SMILES
CCCCOCCCO
InChI
InChI=1S/C7H16O2/c1-2-3-6-9-7-4-5-8/h8H,2-7H2,1H3
InChIKey
NTKBNCABAMQDIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Butoxy-1-propanol
CAS: 10215-33-5
CID: 82457
Formula: C7H16O2
MW: 132.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.20
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass132.115029749
Monoisotopic Mass132.115029749
Topological Polar Surface Area29.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity46.2
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

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