AB52786
22047-49-0 | 2-Ethylhexyl stearate
Manufacturer: A2B Chem
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CatalogNumber
AB52786
ChemicalName
2-Ethylhexyl stearate
CasNumber
22047-49-0
MolecularFormula
C26H52O2
MolecularWeight
396.6899
MdlNumber
MFCD00072275
Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
2
RotatableBondCount
23
UndefinedAtomStereocenterCount
1
Xlogp3
11.7
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CatalogNumber: AB52786
ChemicalName: 2-Ethylhexyl stearate
CasNumber: 22047-49-0
MolecularFormula: C26H52O2
MolecularWeight: 396.6899
MdlNumber: MFCD00072275
Smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 2
RotatableBondCount: 23
UndefinedAtomStereocenterCount: 1
Xlogp3: 11.7
CatalogNumber:
AB52786
ChemicalName:
2-Ethylhexyl stearate
CasNumber:
22047-49-0
MolecularFormula:
C26H52O2
MolecularWeight:
396.6899
MdlNumber:
MFCD00072275
Smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
2
RotatableBondCount:
23
UndefinedAtomStereocenterCount:
1
Xlogp3:
11.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1CCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1CCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NC1CCCCC1
Complexity: 116
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NC1CCCCC1
Complexity:
116
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N.[Na+].[Na+].O.O.O.O.O.O.O
Complexity: 737
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N.[Na+].[Na+].O.O.O.O.O.O.O
Complexity:
737
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__