AA96957
18159-22-3 | 1-Benzylpyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA96957
ChemicalName
1-Benzylpyrrole-2-carboxylic acid
CasNumber
18159-22-3
MolecularFormula
C12H11NO2
MolecularWeight
201.2212
MdlNumber
MFCD00894448
Smiles
OC(=O)c1cccn1Cc1ccccc1
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AA96957
ChemicalName: 1-Benzylpyrrole-2-carboxylic acid
CasNumber: 18159-22-3
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD00894448
Smiles: OC(=O)c1cccn1Cc1ccccc1
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AA96957
ChemicalName:
1-Benzylpyrrole-2-carboxylic acid
CasNumber:
18159-22-3
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD00894448
Smiles:
OC(=O)c1cccn1Cc1ccccc1
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
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Smiles: [N-]=[N+]=NCC(=O)OC
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[N-]=[N+]=NCC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: [N-]=[N+]=NCC(=O)N
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[N-]=[N+]=NCC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1)CN=[N+]=[N-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)CN=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__