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Methyl Benzilate

CAT: 0572-TRC-M289750-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M289750-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76-89-1
Synonyms
Benzilic Acid Methyl Ester; 2-Hydroxy-2,2-diphenylacetic Acid Methyl Ester; Methyl 2-Hydroxy-2,2-diphenylacetate; Methyl Diphenylglycolate; Methyl Hydroxydiphenylacetate; Methyl α-Hydroxydiphenylacetate; Methyl α-Phenylmandelate; NSC 57672; NSC 624
Hazard Statement
Causes skin irritation
Smiles
COC(=O)C(O)(c1ccccc1)c2ccccc2
Molecular Formula
C15 H14 O3
Molecular Weight
242.27
InChI
InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3
Additionnal Information
IUPAC name: methyl 2-hydroxy-2,2-diphenyl-acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methyl benzilate
CAS Number76-89-1
PubChem CID66159
IUPAC Namemethyl 2-hydroxy-2,2-diphenylacetate
Molecular FormulaC15H14O3
Molecular Weight242.27
XLogP2.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity257
SMILES
COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3
InChIKey
LJFIHTFNTGQZJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl benzilate
CAS: 76-89-1
CID: 66159
Formula: C15H14O3
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass242.094294304
Monoisotopic Mass242.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity257
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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