AE08037
100159-13-5 | Ethyl 2-methyl-2-(1h-1,2,4-triazol-1-yl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AE08037
ChemicalName
Ethyl 2-methyl-2-(1h-1,2,4-triazol-1-yl)propanoate
CasNumber
100159-13-5
MolecularFormula
C8H13N3O2
MolecularWeight
183.2077
MdlNumber
MFCD00202105
Smiles
CCOC(=O)C(n1ncnc1)(C)C
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1
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CatalogNumber: AE08037
ChemicalName: Ethyl 2-methyl-2-(1h-1,2,4-triazol-1-yl)propanoate
CasNumber: 100159-13-5
MolecularFormula: C8H13N3O2
MolecularWeight: 183.2077
MdlNumber: MFCD00202105
Smiles: CCOC(=O)C(n1ncnc1)(C)C
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AE08037
ChemicalName:
Ethyl 2-methyl-2-(1h-1,2,4-triazol-1-yl)propanoate
CasNumber:
100159-13-5
MolecularFormula:
C8H13N3O2
MolecularWeight:
183.2077
MdlNumber:
MFCD00202105
Smiles:
CCOC(=O)C(n1ncnc1)(C)C
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1
CatalogNumber: AE08038
ChemicalName: D-Pinitol
CasNumber: 10284-63-6
MolecularFormula: C7H14O6
MolecularWeight: 194.1825
MdlNumber: MFCD00216659
Smiles: CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: -3.2
CatalogNumber:
AE08038
ChemicalName:
D-Pinitol
CasNumber:
10284-63-6
MolecularFormula:
C7H14O6
MolecularWeight:
194.1825
MdlNumber:
MFCD00216659
Smiles:
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
-3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)(O)[O-].[O-]P(=O)(O)[O-].[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[Na+].[Al+3].[Al+3].[Al+3].O.O.O.O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-]P(=O)(O)[O-].[O-]P(=O)(O)[O-].[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[O-]P(=O)(O)O.[Na+].[Al+3].[Al+3].[Al+3].O.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)(O)[O-].[Na+].[Na+].O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-]P(=O)(O)[O-].[Na+].[Na+].O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__