AI12503
119647-73-3 | Ethyl 7-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI12503
ChemicalName
Ethyl 7-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate
CasNumber
119647-73-3
MolecularFormula
C11H13NO3
MolecularWeight
207.22582000000008
MdlNumber
MFCD03865893
Smiles
CCOC(=O)c1cc2c([nH]1)C(=O)CCC2
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AI12503
ChemicalName: Ethyl 7-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate
CasNumber: 119647-73-3
MolecularFormula: C11H13NO3
MolecularWeight: 207.22582000000008
MdlNumber: MFCD03865893
Smiles: CCOC(=O)c1cc2c([nH]1)C(=O)CCC2
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AI12503
ChemicalName:
Ethyl 7-oxo-4,5,6,7-tetrahydro-1h-indole-2-carboxylate
CasNumber:
119647-73-3
MolecularFormula:
C11H13NO3
MolecularWeight:
207.22582000000008
MdlNumber:
MFCD03865893
Smiles:
CCOC(=O)c1cc2c([nH]1)C(=O)CCC2
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
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Smiles: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)OC3CCCC3)C(=O)OC
Complexity: __
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Smiles:
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)OC3CCCC3)C(=O)OC
Complexity:
__
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Smiles: O=Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)Oc1ccccc1
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Smiles:
O=Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)Oc1ccccc1
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Smiles: Ic1cn(c2c1cncn2)S(=O)(=O)c1ccccc1
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Ic1cn(c2c1cncn2)S(=O)(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__