AB52717
108290-86-4 | Ethyl 2-amino-1H-pyrrole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB52717
ChemicalName
Ethyl 2-amino-1H-pyrrole-3-carboxylate
CasNumber
108290-86-4
MolecularFormula
C7H10N2O2
MolecularWeight
154.1665
MdlNumber
MFCD00027834
Smiles
CCOC(=O)c1cc[nH]c1N
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AB52717
ChemicalName: Ethyl 2-amino-1H-pyrrole-3-carboxylate
CasNumber: 108290-86-4
MolecularFormula: C7H10N2O2
MolecularWeight: 154.1665
MdlNumber: MFCD00027834
Smiles: CCOC(=O)c1cc[nH]c1N
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB52717
ChemicalName:
Ethyl 2-amino-1H-pyrrole-3-carboxylate
CasNumber:
108290-86-4
MolecularFormula:
C7H10N2O2
MolecularWeight:
154.1665
MdlNumber:
MFCD00027834
Smiles:
CCOC(=O)c1cc[nH]c1N
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)c1cc2ccccc2c(c1O)/N=N/c1ccc2c(c1S(=O)(=O)[O-])cccc2.[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)c1cc2ccccc2c(c1O)/N=N/c1ccc2c(c1S(=O)(=O)[O-])cccc2.[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52719
ChemicalName: 4-Nitrobenzene-1,3-diol
CasNumber: 3163-07-3
MolecularFormula: C6H5NO4
MolecularWeight: 155.1082
MdlNumber: MFCD04117945
Smiles: Oc1ccc(c(c1)O)[N+](=O)[O-]
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AB52719
ChemicalName:
4-Nitrobenzene-1,3-diol
CasNumber:
3163-07-3
MolecularFormula:
C6H5NO4
MolecularWeight:
155.1082
MdlNumber:
MFCD04117945
Smiles:
Oc1ccc(c(c1)O)[N+](=O)[O-]
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1SCC2C1NC(=O)N2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1SCC2C1NC(=O)N2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__