AI43324
192436-84-3 | Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI43324
ChemicalName
Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate
CasNumber
192436-84-3
MolecularFormula
C10H17NO2
MolecularWeight
183.2475
MdlNumber
MFCD20662144
Smiles
COC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2
Complexity
205
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AI43324
ChemicalName: Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate
CasNumber: 192436-84-3
MolecularFormula: C10H17NO2
MolecularWeight: 183.2475
MdlNumber: MFCD20662144
Smiles: COC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2
Complexity: 205
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AI43324
ChemicalName:
Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate
CasNumber:
192436-84-3
MolecularFormula:
C10H17NO2
MolecularWeight:
183.2475
MdlNumber:
MFCD20662144
Smiles:
COC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2
Complexity:
205
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
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Smiles: CCOC(=O)N(C(=O)OCC)C#N
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CCOC(=O)N(C(=O)OCC)C#N
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Smiles: C1=CC=C(C=C1)C=CCOC2=CC=CC(=C2)C=O
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C1=CC=C(C=C1)C=CCOC2=CC=CC(=C2)C=O
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Smiles: O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(c1F)F
Complexity: __
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Smiles:
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(c1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__