AI54869
68-26-8 | Retinol
Manufacturer: A2B Chem
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CatalogNumber
AI54869
ChemicalName
Retinol
CasNumber
68-26-8
MolecularFormula
C20H30O
MolecularWeight
286.4516
MdlNumber
MFCD00001552
Smiles
OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C
Complexity
496
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
4
HeavyAtomCount
21
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
5.7
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CatalogNumber: AI54869
ChemicalName: Retinol
CasNumber: 68-26-8
MolecularFormula: C20H30O
MolecularWeight: 286.4516
MdlNumber: MFCD00001552
Smiles: OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C
Complexity: 496
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 4
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 5.7
CatalogNumber:
AI54869
ChemicalName:
Retinol
CasNumber:
68-26-8
MolecularFormula:
C20H30O
MolecularWeight:
286.4516
MdlNumber:
MFCD00001552
Smiles:
OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C
Complexity:
496
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
4
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
5.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Complexity: 327
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Complexity:
327
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CONC1=O
Complexity: 92.9
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1CONC1=O
Complexity:
92.9
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#Cc1ccc(cc1)CNC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#Cc1ccc(cc1)CNC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__