AI52529
558448-09-2 | tert-Butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI52529
ChemicalName
tert-Butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CasNumber
558448-09-2
MolecularFormula
C14H23NO4
MolecularWeight
269.3367
MdlNumber
MFCD22383647
Smiles
CCOC(=O)/C=C1/CCCN(C1)C(=O)OC(C)(C)C
Complexity
368
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
1.6
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CatalogNumber: AI52529
ChemicalName: tert-Butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CasNumber: 558448-09-2
MolecularFormula: C14H23NO4
MolecularWeight: 269.3367
MdlNumber: MFCD22383647
Smiles: CCOC(=O)/C=C1/CCCN(C1)C(=O)OC(C)(C)C
Complexity: 368
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 1.6
CatalogNumber:
AI52529
ChemicalName:
tert-Butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
CasNumber:
558448-09-2
MolecularFormula:
C14H23NO4
MolecularWeight:
269.3367
MdlNumber:
MFCD22383647
Smiles:
CCOC(=O)/C=C1/CCCN(C1)C(=O)OC(C)(C)C
Complexity:
368
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1cccc(c1)C(=O)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
BrCc1cccc(c1)C(=O)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AI52531
ChemicalName: 2,5-Dichloro-3-hydroxymethylpyridine
CasNumber: 558465-93-3
MolecularFormula: C6H5Cl2NO
MolecularWeight: 178.016
MdlNumber: MFCD06659487
Smiles: OCc1cc(Cl)cnc1Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI52531
ChemicalName:
2,5-Dichloro-3-hydroxymethylpyridine
CasNumber:
558465-93-3
MolecularFormula:
C6H5Cl2NO
MolecularWeight:
178.016
MdlNumber:
MFCD06659487
Smiles:
OCc1cc(Cl)cnc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(cc2n1cccc2)c1cc(C)ccc1C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(cc2n1cccc2)c1cc(C)ccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__