AH82086
890849-27-1 | 3-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH82086
ChemicalName
3-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CasNumber
890849-27-1
MolecularFormula
C12H21NO4
MolecularWeight
243.29944000000006
MdlNumber
MFCD18910910
Smiles
COC(=O)CC1CCN(C1)C(=O)OC(C)(C)C
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AH82086
ChemicalName: 3-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CasNumber: 890849-27-1
MolecularFormula: C12H21NO4
MolecularWeight: 243.29944000000006
MdlNumber: MFCD18910910
Smiles: COC(=O)CC1CCN(C1)C(=O)OC(C)(C)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AH82086
ChemicalName:
3-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CasNumber:
890849-27-1
MolecularFormula:
C12H21NO4
MolecularWeight:
243.29944000000006
MdlNumber:
MFCD18910910
Smiles:
COC(=O)CC1CCN(C1)C(=O)OC(C)(C)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC1=CC=C(C=C1)CN2CC(C3(C2)CCOCC3)C(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
COC1=CC=C(C=C1)CN2CC(C3(C2)CCOCC3)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=C(C=C(C=C2)Cl)Cl
Complexity: __
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Smiles:
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=C(C=C(C=C2)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: NC1CCCc2c1cccc2F.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
NC1CCCc2c1cccc2F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__