AB46204
1113-21-9 | Geranyl linalool
Manufacturer: A2B Chem
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CatalogNumber
AB46204
ChemicalName
Geranyl linalool
CasNumber
1113-21-9
MolecularFormula
C20H34O
MolecularWeight
290.4834
MdlNumber
MFCD00059363
Smiles
C=CC(CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)(O)C
Complexity
394
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
10
UndefinedAtomStereocenterCount
1
Xlogp3
6.4
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CatalogNumber: AB46204
ChemicalName: Geranyl linalool
CasNumber: 1113-21-9
MolecularFormula: C20H34O
MolecularWeight: 290.4834
MdlNumber: MFCD00059363
Smiles: C=CC(CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)(O)C
Complexity: 394
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 1
Xlogp3: 6.4
CatalogNumber:
AB46204
ChemicalName:
Geranyl linalool
CasNumber:
1113-21-9
MolecularFormula:
C20H34O
MolecularWeight:
290.4834
MdlNumber:
MFCD00059363
Smiles:
C=CC(CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)(O)C
Complexity:
394
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
1
Xlogp3:
6.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)C(=O)N(C(=O)C2(C)C)CCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Complexity: 948
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)C(=O)N(C(=O)C2(C)C)CCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Complexity:
948
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCC(=O)O1
Complexity: 114
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCC(=O)O1
Complexity:
114
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.1
CatalogNumber: AB46207
ChemicalName: Glycerol
CasNumber: 56-81-5
MolecularFormula: C3H8O3
MolecularWeight: 92.0938
MdlNumber: MFCD00149303
Smiles: OCC(CO)O
Complexity: 25.2
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: -1.8
CatalogNumber:
AB46207
ChemicalName:
Glycerol
CasNumber:
56-81-5
MolecularFormula:
C3H8O3
MolecularWeight:
92.0938
MdlNumber:
MFCD00149303
Smiles:
OCC(CO)O
Complexity:
25.2
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.8