AA32100
125885-50-9 | Ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA32100
ChemicalName
Ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CasNumber
125885-50-9
MolecularFormula
C12H13NO4
MolecularWeight
235.2359
MdlNumber
MFCD11045393
Smiles
CCOC(=O)c1cc2C(=O)CCCc2[nH]c1=O
Complexity
459
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AA32100
ChemicalName: Ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CasNumber: 125885-50-9
MolecularFormula: C12H13NO4
MolecularWeight: 235.2359
MdlNumber: MFCD11045393
Smiles: CCOC(=O)c1cc2C(=O)CCCc2[nH]c1=O
Complexity: 459
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AA32100
ChemicalName:
Ethyl 2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate
CasNumber:
125885-50-9
MolecularFormula:
C12H13NO4
MolecularWeight:
235.2359
MdlNumber:
MFCD11045393
Smiles:
CCOC(=O)c1cc2C(=O)CCCc2[nH]c1=O
Complexity:
459
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)Nc1ncsc1C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
O=C(OC(C)(C)C)Nc1ncsc1C
Complexity:
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Smiles: C#CC1(O)CN(C1)C(=O)OC(C)(C)C
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Smiles:
C#CC1(O)CN(C1)C(=O)OC(C)(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cc1cc(C)cc(c1)C(c1cc(C)cc(c1)C)([C@@H]1CCCN1)O[Si](C(C)(C)C)(C)C
Complexity: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1cc(C)cc(c1)C(c1cc(C)cc(c1)C)([C@@H]1CCCN1)O[Si](C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__