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Cis-C75

CAT: 0013-GTR19258967-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258967-02Size:5 mg
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Description
Cis-C75 is a five-membered oxygen-containing heterocyclic derivative containing a carboxylic acid group, suitable for biochemical experiments and drug synthesis research.
CAS Number
191282-49-2
Product Name Alternative
CisC75 (218137861Freebase)
Purity
98.25% (May vary between batches)
Smiles
C (CCCCCCC) [C@@H]1[C@H] (C (O) =O) C (=C) C (=O) O1
Molecular Formula
C14H22O4
Molecular Weight
254.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

cis-Tetrahydro-3-methylene-2-oxo-5-n-octyl-4-furancarboxylic acid
CAS Number191282-49-2
PubChem CID24728613
IUPAC Name(2R,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Molecular FormulaC14H22O4
Molecular Weight254.32
XLogP4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity322
SMILES
CCCCCCCC[C@@H]1[C@@H](C(=C)C(=O)O1)C(=O)O
InChI
InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12-/m1/s1
InChIKey
VCWLZDVWHQVAJU-VXGBXAGGSA-N
Chemical Structure
2D Structure
2D structure of cis-Tetrahydro-3-methylene-2-oxo-5-n-octyl-4-furancarboxylic acid
CAS: 191282-49-2
CID: 24728613
Formula: C14H22O4
MW: 254.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.32
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass254.15180918
Monoisotopic Mass254.15180918
Topological Polar Surface Area63.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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