AB74439
3796-70-1 | Geranylacetone
Manufacturer: A2B Chem
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CatalogNumber
AB74439
ChemicalName
Geranylacetone
CasNumber
3796-70-1
MolecularFormula
C13H22O
MolecularWeight
194.3132
MdlNumber
MFCD00008910
Smiles
C/C(=C\CCC(=O)C)/CC/C=C(/C)\C
NscNumber
406679
Complexity
230
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
1
RotatableBondCount
6
Xlogp3
3.7
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CatalogNumber: AB74439
ChemicalName: Geranylacetone
CasNumber: 3796-70-1
MolecularFormula: C13H22O
MolecularWeight: 194.3132
MdlNumber: MFCD00008910
Smiles: C/C(=C\CCC(=O)C)/CC/C=C(/C)\C
NscNumber: 406679
Complexity: 230
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
RotatableBondCount: 6
Xlogp3: 3.7
CatalogNumber:
AB74439
ChemicalName:
Geranylacetone
CasNumber:
3796-70-1
MolecularFormula:
C13H22O
MolecularWeight:
194.3132
MdlNumber:
MFCD00008910
Smiles:
C/C(=C\CCC(=O)C)/CC/C=C(/C)\C
NscNumber:
406679
Complexity:
230
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
RotatableBondCount:
6
Xlogp3:
3.7
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Smiles: OC/C=C(/CCC=C(CC/C=C(/CCC=C(C)C)\C)C)\C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC/C=C(/CCC=C(CC/C=C(/CCC=C(C)C)\C)C)\C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(CCC=C(CCC=C(CCC=C(C)C)C)C)(O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(CCC=C(CCC=C(CCC=C(C)C)C)C)(O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
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NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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