AB31751
26591-72-0 | 3-Methyl-1-vinyl-1H-imidazol-3-ium methyl sulfate
Manufacturer: A2B Chem
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CatalogNumber
AB31751
ChemicalName
3-Methyl-1-vinyl-1H-imidazol-3-ium methyl sulfate
CasNumber
26591-72-0
MolecularFormula
C7H12N2O4S
MolecularWeight
220.2462
MdlNumber
MFCD22495130
Smiles
COS(=O)(=O)[O-].C=Cn1cc[n+](c1)C
Complexity
181
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
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CatalogNumber: AB31751
ChemicalName: 3-Methyl-1-vinyl-1H-imidazol-3-ium methyl sulfate
CasNumber: 26591-72-0
MolecularFormula: C7H12N2O4S
MolecularWeight: 220.2462
MdlNumber: MFCD22495130
Smiles: COS(=O)(=O)[O-].C=Cn1cc[n+](c1)C
Complexity: 181
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AB31751
ChemicalName:
3-Methyl-1-vinyl-1H-imidazol-3-ium methyl sulfate
CasNumber:
26591-72-0
MolecularFormula:
C7H12N2O4S
MolecularWeight:
220.2462
MdlNumber:
MFCD22495130
Smiles:
COS(=O)(=O)[O-].C=Cn1cc[n+](c1)C
Complexity:
181
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)CC/C=C/[C@@H]1CC=C[C@@]2(O1)CC[C@]1(O2)O[C@H]2C[C@@H](O[C@H]2C[C@@H]1C)[C@@H]([C@@]1(O)CC[C@@H]([C@H](O1)C(=C)C[C@@]12C[C@H](C)C[C@@H](O1)[C@H]1[C@@H](O2)C[C@]2(O1)NC[C@H](C[C@H]2C)C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)CC/C=C/[C@@H]1CC=C[C@@]2(O1)CC[C@]1(O2)O[C@H]2C[C@@H](O[C@H]2C[C@@H]1C)[C@@H]([C@@]1(O)CC[C@@H]([C@H](O1)C(=C)C[C@@]12C[C@H](C)C[C@@H](O1)[C@H]1[C@@H](O2)C[C@]2(O1)NC[C@H](C[C@H]2C)C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC/C=C/[C@@H]1CC(=C[C@@]2(O1)CC[C@]1(O2)O[C@H]2C[C@@H](O[C@H]2C[C@@H]1C)[C@@H]([C@]1(O)O[C@@H]([C@H](C[C@H]1C)C)C(=C)C[C@@]12C[C@H](C)C[C@@H](O1)[C@H]1[C@@H](O2)C[C@]2(O1)NC[C@H](C[C@H]2C)C)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC/C=C/[C@@H]1CC(=C[C@@]2(O1)CC[C@]1(O2)O[C@H]2C[C@@H](O[C@H]2C[C@@H]1C)[C@@H]([C@]1(O)O[C@@H]([C@H](C[C@H]1C)C)C(=C)C[C@@]12C[C@H](C)C[C@@H](O1)[C@H]1[C@@H](O2)C[C@]2(O1)NC[C@H](C[C@H]2C)C)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2c([2H])c([2H])c(c(c2[2H])[2H])[2H])C(=O)Nc2ccccc2O)OC(=O)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O[C@@H]1C[C@@H](CCn2c(C(C)C)c(c(c2c2ccc(cc2)F)c2c([2H])c([2H])c(c(c2[2H])[2H])[2H])C(=O)Nc2ccccc2O)OC(=O)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__