AB46542
35309-35-4 | Methyl 5-oxopyrrolidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46542
ChemicalName
Methyl 5-oxopyrrolidine-3-carboxylate
CasNumber
35309-35-4
MolecularFormula
C6H9NO3
MolecularWeight
143.1406
MdlNumber
MFCD08275678
Smiles
COC(=O)C1CNC(=O)C1
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
-0.9
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CatalogNumber: AB46542
ChemicalName: Methyl 5-oxopyrrolidine-3-carboxylate
CasNumber: 35309-35-4
MolecularFormula: C6H9NO3
MolecularWeight: 143.1406
MdlNumber: MFCD08275678
Smiles: COC(=O)C1CNC(=O)C1
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: -0.9
CatalogNumber:
AB46542
ChemicalName:
Methyl 5-oxopyrrolidine-3-carboxylate
CasNumber:
35309-35-4
MolecularFormula:
C6H9NO3
MolecularWeight:
143.1406
MdlNumber:
MFCD08275678
Smiles:
COC(=O)C1CNC(=O)C1
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
-0.9
CatalogNumber: AB46543
ChemicalName: Methyl 6-aminopyridazine-3-carboxylate
CasNumber: 98140-96-6
MolecularFormula: C6H7N3O2
MolecularWeight: 153.1387
MdlNumber: MFCD11226154
Smiles: COC(=O)c1ccc(nn1)N
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: -0.8
CatalogNumber:
AB46543
ChemicalName:
Methyl 6-aminopyridazine-3-carboxylate
CasNumber:
98140-96-6
MolecularFormula:
C6H7N3O2
MolecularWeight:
153.1387
MdlNumber:
MFCD11226154
Smiles:
COC(=O)c1ccc(nn1)N
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)cc2c1cn[nH]2
Complexity: 237
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)cc2c1cn[nH]2
Complexity:
237
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCCCCC(=O)OC
Complexity: 93.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCCCCC(=O)OC
Complexity:
93.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9