AB73284
112-85-6 | Behenic acid
Manufacturer: A2B Chem
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CatalogNumber
AB73284
ChemicalName
Behenic acid
CasNumber
112-85-6
MolecularFormula
C22H44O2
MolecularWeight
340.5836
MdlNumber
MFCD00002807
Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)O
NscNumber
32364
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
20
Xlogp3
9.6
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CatalogNumber: AB73284
ChemicalName: Behenic acid
CasNumber: 112-85-6
MolecularFormula: C22H44O2
MolecularWeight: 340.5836
MdlNumber: MFCD00002807
Smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O
NscNumber: 32364
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 20
Xlogp3: 9.6
CatalogNumber:
AB73284
ChemicalName:
Behenic acid
CasNumber:
112-85-6
MolecularFormula:
C22H44O2
MolecularWeight:
340.5836
MdlNumber:
MFCD00002807
Smiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)O
NscNumber:
32364
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
20
Xlogp3:
9.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O]#C[Co]12(C#[O])(C#[O])[Co+2]345([Co+2]61([Co+2]23([C-2]4=O)([C-2]6=O)(C#[O])C#[O])([C-2]5=O)(C#[O])C#[O])(C#[O])C#[O]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O]#C[Co]12(C#[O])(C#[O])[Co+2]345([Co+2]61([Co+2]23([C-2]4=O)([C-2]6=O)(C#[O])C#[O])([C-2]5=O)(C#[O])C#[O])(C#[O])C#[O]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB73287
ChemicalName: 3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-diol
CasNumber: 6790-09-6
MolecularFormula: C24H50O13
MolecularWeight: 546.6459999999997
MdlNumber: MFCD06201001
Smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
NscNumber: __
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 2
RotatableBondCount: 34
Xlogp3: -2.8
CatalogNumber:
AB73287
ChemicalName:
3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-diol
CasNumber:
6790-09-6
MolecularFormula:
C24H50O13
MolecularWeight:
546.6459999999997
MdlNumber:
MFCD06201001
Smiles:
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
NscNumber:
__
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
2
RotatableBondCount:
34
Xlogp3:
-2.8