AI12016
118675-14-2 | Ethyl 3-(methylsulfonyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AI12016
ChemicalName
Ethyl 3-(methylsulfonyl)propanoate
CasNumber
118675-14-2
MolecularFormula
C6H12O4S
MolecularWeight
180.2221
MdlNumber
MFCD12776525
Smiles
CCOC(=O)CCS(=O)(=O)C
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
-0.2
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CatalogNumber: AI12016
ChemicalName: Ethyl 3-(methylsulfonyl)propanoate
CasNumber: 118675-14-2
MolecularFormula: C6H12O4S
MolecularWeight: 180.2221
MdlNumber: MFCD12776525
Smiles: CCOC(=O)CCS(=O)(=O)C
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: -0.2
CatalogNumber:
AI12016
ChemicalName:
Ethyl 3-(methylsulfonyl)propanoate
CasNumber:
118675-14-2
MolecularFormula:
C6H12O4S
MolecularWeight:
180.2221
MdlNumber:
MFCD12776525
Smiles:
CCOC(=O)CCS(=O)(=O)C
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
-0.2
CatalogNumber: AI12017
ChemicalName: N-Methylacrylamide
CasNumber: 1187-59-3
MolecularFormula: C4H7NO
MolecularWeight: 85.1045
MdlNumber: MFCD00053693
Smiles: CNC(=O)C=C
Complexity: 67.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AI12017
ChemicalName:
N-Methylacrylamide
CasNumber:
1187-59-3
MolecularFormula:
C4H7NO
MolecularWeight:
85.1045
MdlNumber:
MFCD00053693
Smiles:
CNC(=O)C=C
Complexity:
67.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C(C(C(=O)[O-])N)C(=O)[O-].[Mg+2]
Complexity: 137
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C(C(C(=O)[O-])N)C(=O)[O-].[Mg+2]
Complexity:
137
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H]1CNC[C@H](C1)NC(=O)OC(C)(C)C.C[C@@H]1CNC[C@@H](C1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H]1CNC[C@H](C1)NC(=O)OC(C)(C)C.C[C@@H]1CNC[C@@H](C1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__