Products for Research Use Only

Benzyl Glycolate

CAT: 0572-TRC-B277050-10GSize: 10 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-B277050-10GSize:10 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
30379-58-9
Synonyms
Glycolic Acid Benzyl Ester (8CI); Benzyl 2-Hydroxyacetate; Benzyl glycolate; Hydroxyacetic Acid Benzyl Ester; Hydroxy Acetic Acid Phenylmethyl Ester;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
OCC(=O)OCc1ccccc1
Molecular Formula
C9H10O3
Molecular Weight
166.17
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzyl 2-hydroxyacetate
CAS Number30379-58-9
PubChem CID561337
IUPAC Namebenzyl 2-hydroxyacetate
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity139
SMILES
C1=CC=C(C=C1)COC(=O)CO
InChI
InChI=1S/C9H10O3/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
VPYJBEIOKFRWQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl 2-hydroxyacetate
CAS: 30379-58-9
CID: 561337
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity139
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