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2-(2-Methoxy-1-methylethoxy)-1-propanol

CAT: 0572-TRC-M264250-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M264250-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55956-21-3
Hazard Statement
No Data Available
Smiles
COCC(C)OC(C)CO
Molecular Formula
C7 H16 O3
Molecular Weight
148.2
InChI
InChI=1S/C7H16O3/c1-6(4-8)10-7(2)5-9-3/h6-8H,4-5H2,1-3H3
Additionnal Information
IUPAC name: 2-(1-methoxypropan-2-yloxy)propan-1-ol
Shipping Conditions
Room Temperature

Chemical Information

2-((1-Methoxypropan-2-yl)oxy)propan-1-ol
CAS Number55956-21-3
PubChem CID25483
IUPAC Name2-(1-methoxypropan-2-yloxy)propan-1-ol
Molecular FormulaC7H16O3
Molecular Weight148.20
XLogP0.1
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity75
SMILES
CC(CO)OC(C)COC
InChI
InChI=1S/C7H16O3/c1-6(4-8)10-7(2)5-9-3/h6-8H,4-5H2,1-3H3
InChIKey
OOELPXADJSCXDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((1-Methoxypropan-2-yl)oxy)propan-1-ol
CAS: 55956-21-3
CID: 25483
Formula: C7H16O3
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass148.109944368
Monoisotopic Mass148.109944368
Topological Polar Surface Area38.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity75.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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