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Compound Fr13935

CAT: 0931-Fr13935-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-Fr13935-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78-27-3
Purity
0.9959
Bioactivity
Compound Fr13935, with CAS No. 78-27-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13935 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
OC1(CCCCC1)C#C
Molecular Formula
C8H12O
Molecular Weight
124.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Ethynylcyclohexanol

See also: Cyclohexanol, ethynyl- (annotation moved to).

CAS Number78-27-3
PubChem CID6525
IUPAC Name1-ethynylcyclohexan-1-ol
Molecular FormulaC8H12O
Molecular Weight124.18
XLogP1.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity134
SMILES
C#CC1(CCCCC1)O
InChI
InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
InChIKey
QYLFHLNFIHBCPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethynylcyclohexanol
CAS: 78-27-3
CID: 6525
Formula: C8H12O
MW: 124.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.18
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass124.088815002
Monoisotopic Mass124.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity134
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
Fr13535-01Compound Fr13535
Fr13930-01Compound Fr13930
Fr13936-01Compound Fr13936
Fr13735-01Compound Fr13735
Fr13937-01Compound Fr13937
Fr13953-01Compound Fr13953
Fr13915-01Compound Fr13915
Fr13435-01Compound Fr13435
Fr13905-01Compound Fr13905
Fr13835-01Compound Fr13835

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
ALX-270-455-M005Compound 15e

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