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(-) -Mandelic acid benzyl ester

CAT: 0931-TN7318-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7318-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97415-09-3
Target
Others
Related Pathways
Others
Bioactivity
(-) -Mandelic acid benzyl ester is a natural product that can be used as a reference standard. The CAS number of (-) -Mandelic acid benzyl ester is 97415-09-3.
Smiles
[C@@H](C(OCC1=CC=CC=C1)=O)(O)C2=CC=CC=C2
Molecular Formula
C15H14O3
Molecular Weight
242.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzyl (2R)-hydroxy(phenyl)acetate

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CAS Number97415-09-3
PubChem CID853755
IUPAC Namebenzyl (2R)-2-hydroxy-2-phenylacetate
Molecular FormulaC15H14O3
Molecular Weight242.27
XLogP2.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity252
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](C2=CC=CC=C2)O
InChI
InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1
InChIKey
JFKWZVQEMSKSBU-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Benzyl (2R)-hydroxy(phenyl)acetate
CAS: 97415-09-3
CID: 853755
Formula: C15H14O3
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass242.094294304
Monoisotopic Mass242.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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