AA23366
1191-41-9 | Linolenic Acid Ethyl Ester
Manufacturer: A2B Chem
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CatalogNumber
AA23366
ChemicalName
Linolenic Acid Ethyl Ester
CasNumber
1191-41-9
MolecularFormula
C20H34O2
MolecularWeight
306.4827600000001
MdlNumber
MFCD01731117
Smiles
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC
NscNumber
607760
Complexity
327
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
3
HeavyAtomCount
22
HydrogenBondAcceptorCount
2
RotatableBondCount
15
Xlogp3
6.6
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CatalogNumber: AA23366
ChemicalName: Linolenic Acid Ethyl Ester
CasNumber: 1191-41-9
MolecularFormula: C20H34O2
MolecularWeight: 306.4827600000001
MdlNumber: MFCD01731117
Smiles: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC
NscNumber: 607760
Complexity: 327
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 3
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 2
RotatableBondCount: 15
Xlogp3: 6.6
CatalogNumber:
AA23366
ChemicalName:
Linolenic Acid Ethyl Ester
CasNumber:
1191-41-9
MolecularFormula:
C20H34O2
MolecularWeight:
306.4827600000001
MdlNumber:
MFCD01731117
Smiles:
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC
NscNumber:
607760
Complexity:
327
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
3
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
2
RotatableBondCount:
15
Xlogp3:
6.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCCCC=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCCCC=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA23370
ChemicalName: 6-Hydroxycaproic acid
CasNumber: 1191-25-9
MolecularFormula: C6H12O3
MolecularWeight: 132.1577
MdlNumber: MFCD00046560
Smiles: OCCCCCC(=O)O
NscNumber: 617319
Complexity: 80.4
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: -0.4
CatalogNumber:
AA23370
ChemicalName:
6-Hydroxycaproic acid
CasNumber:
1191-25-9
MolecularFormula:
C6H12O3
MolecularWeight:
132.1577
MdlNumber:
MFCD00046560
Smiles:
OCCCCCC(=O)O
NscNumber:
617319
Complexity:
80.4
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC[C@@H](Br)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC[C@@H](Br)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__