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1,4-Butanediol diglycidyl ether

CAT: 0024-sc-488306DSize: 2 KgDry Ice: NoHazardous: No
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CAT#:0024-sc-488306DSize:2 Kg
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CAS Number
2425-79-8

Chemical Information

1,4-Butanediol diglycidyl ether

1,4-butanediol diglycidyl ether is a clear pale yellow liquid. (NTP, 1992)

CAS Number2425-79-8
PubChem CID17046
IUPAC Name2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
Molecular FormulaC10H18O4
Molecular Weight202.25
XLogP0
Topological Polar Surface Area43.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity144
SMILES
C1C(O1)COCCCCOCC2CO2
InChI
InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2
InChIKey
SHKUUQIDMUMQQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Butanediol diglycidyl ether
CAS: 2425-79-8
CID: 17046
Formula: C10H18O4
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass202.12050905
Monoisotopic Mass202.12050905
Topological Polar Surface Area43.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity144
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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