AF56742
37964-17-3 | Ethyl 1H-pyrrole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF56742
ChemicalName
Ethyl 1H-pyrrole-3-carboxylate
CasNumber
37964-17-3
MolecularFormula
C7H9NO2
MolecularWeight
139.1519
MdlNumber
MFCD10000696
Smiles
CCOC(=O)c1c[nH]cc1
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AF56742
ChemicalName: Ethyl 1H-pyrrole-3-carboxylate
CasNumber: 37964-17-3
MolecularFormula: C7H9NO2
MolecularWeight: 139.1519
MdlNumber: MFCD10000696
Smiles: CCOC(=O)c1c[nH]cc1
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AF56742
ChemicalName:
Ethyl 1H-pyrrole-3-carboxylate
CasNumber:
37964-17-3
MolecularFormula:
C7H9NO2
MolecularWeight:
139.1519
MdlNumber:
MFCD10000696
Smiles:
CCOC(=O)c1c[nH]cc1
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
CatalogNumber: AF56743
ChemicalName: Ethyl 3-pyridylacetate
CasNumber: 39931-77-6
MolecularFormula: C9H11NO2
MolecularWeight: 165.18913999999998
MdlNumber: MFCD09028670
Smiles: CCOC(=O)Cc1cccnc1
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AF56743
ChemicalName:
Ethyl 3-pyridylacetate
CasNumber:
39931-77-6
MolecularFormula:
C9H11NO2
MolecularWeight:
165.18913999999998
MdlNumber:
MFCD09028670
Smiles:
CCOC(=O)Cc1cccnc1
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ncnc(c1)[N-]S(=O)(=O)c1ccc(cc1)N.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ncnc(c1)[N-]S(=O)(=O)c1ccc(cc1)N.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Sc1nc(C)cc(n1)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Sc1nc(C)cc(n1)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__