AI64099
952569-58-3 | 5-(Ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI64099
ChemicalName
5-(Ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid
CasNumber
952569-58-3
MolecularFormula
C8H9NO4
MolecularWeight
183.16136000000003
MdlNumber
MFCD05863424
Smiles
CCOC(=O)c1ccc([nH]1)C(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.1
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CatalogNumber: AI64099
ChemicalName: 5-(Ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid
CasNumber: 952569-58-3
MolecularFormula: C8H9NO4
MolecularWeight: 183.16136000000003
MdlNumber: MFCD05863424
Smiles: CCOC(=O)c1ccc([nH]1)C(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.1
CatalogNumber:
AI64099
ChemicalName:
5-(Ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid
CasNumber:
952569-58-3
MolecularFormula:
C8H9NO4
MolecularWeight:
183.16136000000003
MdlNumber:
MFCD05863424
Smiles:
CCOC(=O)c1ccc([nH]1)C(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.1
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Smiles: O=C(C=CC(=O)O)OCC(C(C(F)(F)F)(F)F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(C=CC(=O)O)OCC(C(C(F)(F)F)(F)F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: ClCC(=O)Nc1c(ccc(c1C)F)[N+](=O)[O-]
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:
__
MdlNumber:
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Smiles:
ClCC(=O)Nc1c(ccc(c1C)F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: C=CC1=CC2=C(CCNC2=O)C=C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C=CC1=CC2=C(CCNC2=O)C=C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__