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Compound Fr13896

CAT: 0931-Fr13896-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13896-02Size:10 mg
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CAS Number
493-08-3
Purity
0.9867
Bioactivity
Compound Fr13896, with CAS No. 493-08-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13896 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
C1COC2=C(C1)C=CC=C2
Molecular Formula
C9H10O
Molecular Weight
134.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chroman

Chromane is a benzopyran consisting of a pyran ring having a benzene ring ortho-fused across positions 2 and 3.

CAS Number493-08-3
PubChem CID136319
IUPAC Name3,4-dihydro-2H-chromene
Molecular FormulaC9H10O
Molecular Weight134.17
XLogP2.5
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity111
SMILES
C1CC2=CC=CC=C2OC1
InChI
InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2
InChIKey
VZWXIQHBIQLMPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chroman
CAS: 493-08-3
CID: 136319
Formula: C9H10O
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass134.073164938
Monoisotopic Mass134.073164938
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity111
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
Fr13895-01Compound Fr13895
Fr13496-01Compound Fr13496
Fr13986-01Compound Fr13986
Fr13899-01Compound Fr13899
Fr13876-01Compound Fr13876
Fr13897-01Compound Fr13897
Fr13846-01Compound Fr13846
Fr13886-01Compound Fr13886
Fr13806-01Compound Fr13806
Fr13096-01Compound Fr13096

Alternative Products

CatalogName
ALX-550-516-M025Compound A
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C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
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