AI46197
26878-13-7 | Methyl 2-oxo-2-(thiophen-2-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI46197
ChemicalName
Methyl 2-oxo-2-(thiophen-2-yl)acetate
CasNumber
26878-13-7
MolecularFormula
C7H6O3S
MolecularWeight
170.1857
MdlNumber
MFCD19313480
Smiles
COC(=O)C(=O)c1cccs1
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AI46197
ChemicalName: Methyl 2-oxo-2-(thiophen-2-yl)acetate
CasNumber: 26878-13-7
MolecularFormula: C7H6O3S
MolecularWeight: 170.1857
MdlNumber: MFCD19313480
Smiles: COC(=O)C(=O)c1cccs1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AI46197
ChemicalName:
Methyl 2-oxo-2-(thiophen-2-yl)acetate
CasNumber:
26878-13-7
MolecularFormula:
C7H6O3S
MolecularWeight:
170.1857
MdlNumber:
MFCD19313480
Smiles:
COC(=O)C(=O)c1cccs1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O/N=C/c1ccc(c(c1)[N+](=O)[O-])O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O/N=C/c1ccc(c(c1)[N+](=O)[O-])O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc[n+](cc1C)[O-]
Complexity: 108
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc[n+](cc1C)[O-]
Complexity:
108
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC=CC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC=CC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__