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1-hydroxyethyl acetate

CAT: 1299-RG-E141292-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E141292-01Size:10 mg
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CAS Number
134145-16-7
Synonyms
1-hydroxyethyl acetate
Molecular Formula
C4H8O3
Molecular Weight
104.11
Product Name Synonym
1-hydroxyethyl acetate

Chemical Information

Acetic acid;ethane-1,1-diol
CAS Number134145-16-7
PubChem CID71341148
IUPAC Nameacetic acid;ethane-1,1-diol
Molecular FormulaC4H10O4
Molecular Weight122.12
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity42
SMILES
CC(O)O.CC(=O)O
InChI
InChI=1S/C2H6O2.C2H4O2/c2*1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKey
JMURHFGATYWINZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetic acid;ethane-1,1-diol
CAS: 134145-16-7
CID: 71341148
Formula: C4H10O4
MW: 122.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass122.05790880
Monoisotopic Mass122.05790880
Topological Polar Surface Area77.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity42.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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