AB75808
81452-54-2 | Methyl 3-methylthiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75808
ChemicalName
Methyl 3-methylthiophene-2-carboxylate
CasNumber
81452-54-2
MolecularFormula
C7H8O2S
MolecularWeight
156.2022
MdlNumber
MFCD00234332
Smiles
COC(=O)c1sccc1C
Complexity
136
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AB75808
ChemicalName: Methyl 3-methylthiophene-2-carboxylate
CasNumber: 81452-54-2
MolecularFormula: C7H8O2S
MolecularWeight: 156.2022
MdlNumber: MFCD00234332
Smiles: COC(=O)c1sccc1C
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB75808
ChemicalName:
Methyl 3-methylthiophene-2-carboxylate
CasNumber:
81452-54-2
MolecularFormula:
C7H8O2S
MolecularWeight:
156.2022
MdlNumber:
MFCD00234332
Smiles:
COC(=O)c1sccc1C
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(CC(=O)OC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(CC(=O)OC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)[N+](=O)[O-]
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AB75811
ChemicalName: Methyl 3-nitroisonicotinate
CasNumber: 103698-10-8
MolecularFormula: C7H6N2O4
MolecularWeight: 182.1335
MdlNumber: MFCD16657194
Smiles: COC(=O)c1ccncc1[N+](=O)[O-]
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB75811
ChemicalName:
Methyl 3-nitroisonicotinate
CasNumber:
103698-10-8
MolecularFormula:
C7H6N2O4
MolecularWeight:
182.1335
MdlNumber:
MFCD16657194
Smiles:
COC(=O)c1ccncc1[N+](=O)[O-]
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.5