AE11968
117613-30-6 | 4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE11968
ChemicalName
4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CasNumber
117613-30-6
MolecularFormula
C8H7NO3
MolecularWeight
165.1461
MdlNumber
MFCD07772855
Smiles
OC(=O)c1cc2c(n1C)cco2
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AE11968
ChemicalName: 4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CasNumber: 117613-30-6
MolecularFormula: C8H7NO3
MolecularWeight: 165.1461
MdlNumber: MFCD07772855
Smiles: OC(=O)c1cc2c(n1C)cco2
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AE11968
ChemicalName:
4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CasNumber:
117613-30-6
MolecularFormula:
C8H7NO3
MolecularWeight:
165.1461
MdlNumber:
MFCD07772855
Smiles:
OC(=O)c1cc2c(n1C)cco2
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: ClCC(=O)c1ccc2c(c1)CC(=O)N2C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
ClCC(=O)c1ccc2c(c1)CC(=O)N2C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
CatalogNumber: __
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MolecularFormula: __
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Smiles: COCc1onc(c1C(=O)OC)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
COCc1onc(c1C(=O)OC)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C1CC=C(C1)C(=O)C2=CC=CC=C2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C1CC=C(C1)C(=O)C2=CC=CC=C2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__