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2-Hydroxyethyl formate

CAT: 0926-AAA62835-03Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-AAA62835-03Size:0.5 g
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CAS Number
628-35-3
MDL Number
MFCD22495177
Smiles
C (COC=O) O
Molecular Formula
C3H6O3
Molecular Weight
90.08 g/mol
Controlled
No

Chemical Information

Glycol monoformate

major decomposition product of p-dioxane during storage

CAS Number628-35-3
PubChem CID69404
IUPAC Name2-hydroxyethyl formate
Molecular FormulaC3H6O3
Molecular Weight90.08
XLogP-0.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity35
SMILES
C(COC=O)O
InChI
InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2
InChIKey
UKQJDWBNQNAJHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycol monoformate
CAS: 628-35-3
CID: 69404
Formula: C3H6O3
MW: 90.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.08
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass90.031694049
Monoisotopic Mass90.031694049
Topological Polar Surface Area46.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity35
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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