AI62522
935765-07-4 | Ethyl (2s)-2-(2-formyl-1h-pyrrol-1-yl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AI62522
ChemicalName
Ethyl (2s)-2-(2-formyl-1h-pyrrol-1-yl)propanoate
CasNumber
935765-07-4
MolecularFormula
C10H13NO3
MolecularWeight
195.2151
MdlNumber
MFCD09832433
Smiles
CCOC(=O)[C@@H](n1cccc1C=O)C
Complexity
217
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AI62522
ChemicalName: Ethyl (2s)-2-(2-formyl-1h-pyrrol-1-yl)propanoate
CasNumber: 935765-07-4
MolecularFormula: C10H13NO3
MolecularWeight: 195.2151
MdlNumber: MFCD09832433
Smiles: CCOC(=O)[C@@H](n1cccc1C=O)C
Complexity: 217
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AI62522
ChemicalName:
Ethyl (2s)-2-(2-formyl-1h-pyrrol-1-yl)propanoate
CasNumber:
935765-07-4
MolecularFormula:
C10H13NO3
MolecularWeight:
195.2151
MdlNumber:
MFCD09832433
Smiles:
CCOC(=O)[C@@H](n1cccc1C=O)C
Complexity:
217
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc2c1C1CCC2C1=C(Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccc2c1C1CCC2C1=C(Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI62527
ChemicalName: tert-Butyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate
CasNumber: 935843-58-6
MolecularFormula: C11H20N2O3
MolecularWeight: 228.2881
MdlNumber: MFCD28991715
Smiles: O=C1NCCN(C(C1)C)C(=O)OC(C)(C)C
Complexity: 283
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AI62527
ChemicalName:
tert-Butyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate
CasNumber:
935843-58-6
MolecularFormula:
C11H20N2O3
MolecularWeight:
228.2881
MdlNumber:
MFCD28991715
Smiles:
O=C1NCCN(C(C1)C)C(=O)OC(C)(C)C
Complexity:
283
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCc2c1scn2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCc2c1scn2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__