AA67714
141452-01-9 | Methyl indoline-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA67714
ChemicalName
Methyl indoline-5-carboxylate
CasNumber
141452-01-9
MolecularFormula
C10H11NO2
MolecularWeight
177.1998
MdlNumber
MFCD07371630
Smiles
COC(=O)c1ccc2c(c1)CCN2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AA67714
ChemicalName: Methyl indoline-5-carboxylate
CasNumber: 141452-01-9
MolecularFormula: C10H11NO2
MolecularWeight: 177.1998
MdlNumber: MFCD07371630
Smiles: COC(=O)c1ccc2c(c1)CCN2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AA67714
ChemicalName:
Methyl indoline-5-carboxylate
CasNumber:
141452-01-9
MolecularFormula:
C10H11NO2
MolecularWeight:
177.1998
MdlNumber:
MFCD07371630
Smiles:
COC(=O)c1ccc2c(c1)CCN2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AA67721
ChemicalName: 2-Boc-hexahydro-pyrrolo[3,4-c]pyrrole
CasNumber: 141449-85-6
MolecularFormula: C11H20N2O2
MolecularWeight: 212.2887
MdlNumber: MFCD04115128
Smiles: O=C(N1CC2C(C1)CNC2)OC(C)(C)C
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AA67721
ChemicalName:
2-Boc-hexahydro-pyrrolo[3,4-c]pyrrole
CasNumber:
141449-85-6
MolecularFormula:
C11H20N2O2
MolecularWeight:
212.2887
MdlNumber:
MFCD04115128
Smiles:
O=C(N1CC2C(C1)CNC2)OC(C)(C)C
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
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Smiles: C=C[C@H](Cc1ccccc1)N.Cl
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Smiles:
C=C[C@H](Cc1ccccc1)N.Cl
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Smiles: Brc1nn(c(c1C)N)c1ccccc1
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Smiles:
Brc1nn(c(c1C)N)c1ccccc1
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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