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CPCCOEt

CAT: 0127-BUP10502-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10502-05Size:100 mg
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CAS Number
179067-99-3
Purity
=98%
Smiles
CCOC(=O)C12CC1\C(=N/O)c1ccccc1O2

Chemical Information

CPCCOEt
CAS Number179067-99-3
PubChem CID6278000
IUPAC Nameethyl (7E)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
Molecular FormulaC13H13NO4
Molecular Weight247.25
XLogP1.9
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity394
SMILES
CCOC(=O)C12CC1/C(=N\O)/C3=CC=CC=C3O2
InChI
InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,16H,2,7H2,1H3/b14-11-
InChIKey
FXCTZFMSAHZQTR-KAMYIIQDSA-N
Chemical Structure
2D Structure
2D structure of CPCCOEt
CAS: 179067-99-3
CID: 6278000
Formula: C13H13NO4
MW: 247.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.25
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass247.08445790
Monoisotopic Mass247.08445790
Topological Polar Surface Area68.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19201354-01CPCCOEt
A22629-10CPCCOEt 10mg
A22629-100CPCCOEt 100mg
A22629-25CPCCOEt 25mg
A22629-50CPCCOEt 50mg
A22629-5CPCCOEt 5mg
A22629-1CPCCOEt 1mg
A22629-10mM-DCPCCOEt 10mM * 1mL in DMSO
217283CPCCOEt ((E) -Ethyl 1,1a,7,7a-tetrahydro-7- (hydroxyimino) cyclopropa[b]chromene-1a-carboxylate, mGlu1 Antagonist, CPCCOEt)

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