AE08973
104291-83-0 | Methyl 6-cyano-1h-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE08973
ChemicalName
Methyl 6-cyano-1h-indole-2-carboxylate
CasNumber
104291-83-0
MolecularFormula
C11H8N2O2
MolecularWeight
200.1934
MdlNumber
MFCD07375393
Smiles
COC(=O)c1cc2c([nH]1)cc(cc2)C#N
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AE08973
ChemicalName: Methyl 6-cyano-1h-indole-2-carboxylate
CasNumber: 104291-83-0
MolecularFormula: C11H8N2O2
MolecularWeight: 200.1934
MdlNumber: MFCD07375393
Smiles: COC(=O)c1cc2c([nH]1)cc(cc2)C#N
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AE08973
ChemicalName:
Methyl 6-cyano-1h-indole-2-carboxylate
CasNumber:
104291-83-0
MolecularFormula:
C11H8N2O2
MolecularWeight:
200.1934
MdlNumber:
MFCD07375393
Smiles:
COC(=O)c1cc2c([nH]1)cc(cc2)C#N
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
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Smiles: CCN1C(=O)C[C@H]([C@@H]1c1ccccc1OC)C(=O)O
Complexity: __
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Smiles:
CCN1C(=O)C[C@H]([C@@H]1c1ccccc1OC)C(=O)O
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Smiles: CCSc1nnc(n1N)c1cccs1
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Smiles:
CCSc1nnc(n1N)c1cccs1
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Smiles: Cc1ccc(cc1)S(=O)(=O)C(C1CCCC1)[N+]#[C-]
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1ccc(cc1)S(=O)(=O)C(C1CCCC1)[N+]#[C-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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