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Compound EN300-128483

CAT: 0931-TPL0558-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0558-01Size:200 mg
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CAS Number
180160-97-8
Bioactivity
Compound EN300-128483, with CAS No. 180160-97-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-128483 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
C1CC2(CCN1)OCCC1=C2C=CC=C1
Molecular Formula
C13H17NO
Molecular Weight
203.2802
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4-Dihydrospiro[2-benzopyran-1,4'-piperidine]
CAS Number180160-97-8
PubChem CID15187050
IUPAC Namespiro[3,4-dihydroisochromene-1,4'-piperidine]
Molecular FormulaC13H17NO
Molecular Weight203.28
XLogP1.5
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity223
SMILES
C1COC2(CCNCC2)C3=CC=CC=C31
InChI
InChI=1S/C13H17NO/c1-2-4-12-11(3-1)5-10-15-13(12)6-8-14-9-7-13/h1-4,14H,5-10H2
InChIKey
SKFZSJIOAVSXCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dihydrospiro[2-benzopyran-1,4'-piperidine]
CAS: 180160-97-8
CID: 15187050
Formula: C13H17NO
MW: 203.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.28
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass203.131014166
Monoisotopic Mass203.131014166
Topological Polar Surface Area21.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity223
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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