AB58845
37386-15-5 | Pyrrolidin-1-ylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB58845
ChemicalName
Pyrrolidin-1-ylacetic acid
CasNumber
37386-15-5
MolecularFormula
C6H11NO2
MolecularWeight
129.157
MdlNumber
MFCD04114075
Smiles
OC(=O)CN1CCCC1
Complexity
108
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-2.8
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CatalogNumber: AB58845
ChemicalName: Pyrrolidin-1-ylacetic acid
CasNumber: 37386-15-5
MolecularFormula: C6H11NO2
MolecularWeight: 129.157
MdlNumber: MFCD04114075
Smiles: OC(=O)CN1CCCC1
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -2.8
CatalogNumber:
AB58845
ChemicalName:
Pyrrolidin-1-ylacetic acid
CasNumber:
37386-15-5
MolecularFormula:
C6H11NO2
MolecularWeight:
129.157
MdlNumber:
MFCD04114075
Smiles:
OC(=O)CN1CCCC1
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-2.8
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RotatableBondCount:
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Smiles: CC1(C)OB(OC1(C)C)CCC1OCCO1
Complexity: 232
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC1(C)OB(OC1(C)C)CCC1OCCO1
Complexity:
232
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C1N(CCOc2ccc(cc2)B2OC(C(O2)(C)C)(C)C)C(=O)c2c1cccc2
Complexity: 603
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1N(CCOc2ccc(cc2)B2OC(C(O2)(C)C)(C)C)C(=O)c2c1cccc2
Complexity:
603
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__