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Compound EN300-09505

CAT: 0931-TPL0544-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0544-01Size:200 mg
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CAS Number
34855-08-8
Bioactivity
Compound EN300-09505, with CAS No. 34855-08-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-09505 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
OC(=O)COC1=CC2=C(OC3=C2CCCC3)C=C1
Molecular Formula
C14H14O4
Molecular Weight
246.2586
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2,4,6-tetraen-4-yloxy)acetic acid
CAS Number34855-08-8
PubChem CID2927343
IUPAC Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetic acid
Molecular FormulaC14H14O4
Molecular Weight246.26
XLogP3.1
Topological Polar Surface Area59.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity317
SMILES
C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)O
InChI
InChI=1S/C14H14O4/c15-14(16)8-17-9-5-6-13-11(7-9)10-3-1-2-4-12(10)18-13/h5-7H,1-4,8H2,(H,15,16)
InChIKey
LVWKRTDDUIYWBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2,4,6-tetraen-4-yloxy)acetic acid
CAS: 34855-08-8
CID: 2927343
Formula: C14H14O4
MW: 246.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.26
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass246.08920892
Monoisotopic Mass246.08920892
Topological Polar Surface Area59.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity317
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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