AH93604
939758-13-1 | trans-Methyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH93604
ChemicalName
trans-Methyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
CasNumber
939758-13-1
MolecularFormula
C12H14FNO2
MolecularWeight
223.2435
MdlNumber
MFCD04115140
Smiles
COC(=O)[C@@H]1CNC[C@H]1c1ccc(cc1)F
Complexity
251
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AH93604
ChemicalName: trans-Methyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
CasNumber: 939758-13-1
MolecularFormula: C12H14FNO2
MolecularWeight: 223.2435
MdlNumber: MFCD04115140
Smiles: COC(=O)[C@@H]1CNC[C@H]1c1ccc(cc1)F
Complexity: 251
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AH93604
ChemicalName:
trans-Methyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylate
CasNumber:
939758-13-1
MolecularFormula:
C12H14FNO2
MolecularWeight:
223.2435
MdlNumber:
MFCD04115140
Smiles:
COC(=O)[C@@H]1CNC[C@H]1c1ccc(cc1)F
Complexity:
251
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
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Smiles: Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1c(O)cccc1O
Complexity: __
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Smiles:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1c(O)cccc1O
Complexity:
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Smiles: COc1c(O)ccc(c1c1cc(=O)c2c(o1)c(OC)c(cc2O)O)O
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Smiles:
COc1c(O)ccc(c1c1cc(=O)c2c(o1)c(OC)c(cc2O)O)O
Complexity:
__
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O[C@H]1CC2=C(C[C@H]([C@]2([C@]2([C@H]1[C@@]1(C)C=CC(=O)C(C1=C(C2=O)O)(C)C)C)C)O)c1cocc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CC2=C(C[C@H]([C@]2([C@]2([C@H]1[C@@]1(C)C=CC(=O)C(C1=C(C2=O)O)(C)C)C)C)O)c1cocc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__