AE98982
149323-68-2 | 4-(2-Formyl-1H-pyrrol-1-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE98982
ChemicalName
4-(2-Formyl-1H-pyrrol-1-yl)benzoic acid
CasNumber
149323-68-2
MolecularFormula
C12H9NO3
MolecularWeight
215.2048
MdlNumber
MFCD05241137
Smiles
O=Cc1cccn1c1ccc(cc1)C(=O)O
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AE98982
ChemicalName: 4-(2-Formyl-1H-pyrrol-1-yl)benzoic acid
CasNumber: 149323-68-2
MolecularFormula: C12H9NO3
MolecularWeight: 215.2048
MdlNumber: MFCD05241137
Smiles: O=Cc1cccn1c1ccc(cc1)C(=O)O
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AE98982
ChemicalName:
4-(2-Formyl-1H-pyrrol-1-yl)benzoic acid
CasNumber:
149323-68-2
MolecularFormula:
C12H9NO3
MolecularWeight:
215.2048
MdlNumber:
MFCD05241137
Smiles:
O=Cc1cccn1c1ccc(cc1)C(=O)O
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: Clc1cc(F)c2c(c1)[nH]c(c2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
Clc1cc(F)c2c(c1)[nH]c(c2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC1=CC=CC(=C1C)C=CC(=O)O
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Smiles:
CC1=CC=CC(=C1C)C=CC(=O)O
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: c1ccc(cc1)c1nc2n(c1)c1c(s2)cccc1
Complexity: __
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:
c1ccc(cc1)c1nc2n(c1)c1c(s2)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__