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Monobenzyl Terephthalate

CAT: 0931-TYD-03717-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-03717-01Size:10 mg
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CAS Number
18520-63-3
Target
Others
Related Pathways
Others
Bioactivity
Monobenzyl Terephthalate (4- ((Benzyloxy) carbonyl) benzoic acid) serves as a pharmaceutical intermediate employed in the synthesis of various active compounds.
Smiles
O=C(O)C1=CC=C(C=C1)C(=O)OCC=2C=CC=CC2
Molecular Formula
C15H12O4
Molecular Weight
256.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-((Benzyloxy)carbonyl)benzoic acid
CAS Number18520-63-3
PubChem CID10587157
IUPAC Name4-phenylmethoxycarbonylbenzoic acid
Molecular FormulaC15H12O4
Molecular Weight256.25
XLogP3.5
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity312
SMILES
C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H12O4/c16-14(17)12-6-8-13(9-7-12)15(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKey
RGRIMQYNCUGNDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((Benzyloxy)carbonyl)benzoic acid
CAS: 18520-63-3
CID: 10587157
Formula: C15H12O4
MW: 256.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.25
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass256.07355886
Monoisotopic Mass256.07355886
Topological Polar Surface Area63.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity312
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

Related Products

CatalogName
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Alternative Products

CatalogName
GTR19268033-01Monobenzyl Terephthalate
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