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Compound Fr14053

CAT: 0931-Fr14053-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14053-01Size:100 mg
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CAS Number
63301-31-5
Bioactivity
Compound Fr14053, with CAS No. 63301-31-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14053 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
O[C@@H]1CCCC[C@H]1C#N
Molecular Formula
C7H11NO
Molecular Weight
125.1683
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

rac-(1R,2S)-2-hydroxycyclohexane-1-carbonitrile
CAS Number63301-31-5
PubChem CID2724649
IUPAC Namecis-(1S,2R)-2-hydroxycyclohexane-1-carbonitrile
Molecular FormulaC7H11NO
Molecular Weight125.17
XLogP1.3
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity135
SMILES
C1CC[C@H]([C@@H](C1)C#N)O
InChI
InChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-4H2/t6-,7+/m0/s1
InChIKey
MFPCXQNVYPKUSM-NKWVEPMBSA-N
Chemical Structure
2D Structure
2D structure of rac-(1R,2S)-2-hydroxycyclohexane-1-carbonitrile
CAS: 63301-31-5
CID: 2724649
Formula: C7H11NO
MW: 125.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.17
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass125.084063974
Monoisotopic Mass125.084063974
Topological Polar Surface Area44 Ų
Heavy Atom Count9
Formal Charge0
Complexity135
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

Related Products

CatalogName
Fr14052-01Compound Fr14052
Fr14453-01Compound Fr14453
Fr14051-01Compound Fr14051
Fr14043-01Compound Fr14043
Fr14503-01Compound Fr14503
Fr14054-01Compound Fr14054
Fr14093-01Compound Fr14093
Fr14023-01Compound Fr14023
Fr13053-01Compound Fr13053
Fr14353-01Compound Fr14353

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CatalogName
ALX-550-516-M025Compound A
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HY-U00358Compound 2
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HY-14176-01Compound E
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1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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