AB46079
7126-57-0 | Ethyl 4-formyl-1h-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46079
ChemicalName
Ethyl 4-formyl-1h-pyrrole-2-carboxylate
CasNumber
7126-57-0
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD04122505
Smiles
CCOC(=O)c1cc(c[nH]1)C=O
NscNumber
272668
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.7
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CatalogNumber: AB46079
ChemicalName: Ethyl 4-formyl-1h-pyrrole-2-carboxylate
CasNumber: 7126-57-0
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD04122505
Smiles: CCOC(=O)c1cc(c[nH]1)C=O
NscNumber: 272668
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AB46079
ChemicalName:
Ethyl 4-formyl-1h-pyrrole-2-carboxylate
CasNumber:
7126-57-0
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD04122505
Smiles:
CCOC(=O)c1cc(c[nH]1)C=O
NscNumber:
272668
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.7
CatalogNumber: AB46080
ChemicalName: Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate
CasNumber: 7234-25-5
MolecularFormula: C9H12N2O2S
MolecularWeight: 212.2688
MdlNumber: MFCD08457402
Smiles: CCOC(=O)c1cnc(nc1C)SC
NscNumber: __
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB46080
ChemicalName:
Ethyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate
CasNumber:
7234-25-5
MolecularFormula:
C9H12N2O2S
MolecularWeight:
212.2688
MdlNumber:
MFCD08457402
Smiles:
CCOC(=O)c1cnc(nc1C)SC
NscNumber:
__
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: AB46081
ChemicalName: Ethyl 4-methyl-4-pentenoate
CasNumber: 4911-54-0
MolecularFormula: C8H14O2
MolecularWeight: 142.1956
MdlNumber: MFCD00075160
Smiles: CCOC(=O)CCC(=C)C
NscNumber: __
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AB46081
ChemicalName:
Ethyl 4-methyl-4-pentenoate
CasNumber:
4911-54-0
MolecularFormula:
C8H14O2
MolecularWeight:
142.1956
MdlNumber:
MFCD00075160
Smiles:
CCOC(=O)CCC(=C)C
NscNumber:
__
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(cc1)C
NscNumber: __
Complexity: 146
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(cc1)C
NscNumber:
__
Complexity:
146
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9