AB74860
589-59-3 | Isobutyl isovalerate
Manufacturer: A2B Chem
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CatalogNumber
AB74860
ChemicalName
Isobutyl isovalerate
CasNumber
589-59-3
MolecularFormula
C9H18O2
MolecularWeight
158.238
MdlNumber
MFCD00048349
Smiles
CC(COC(=O)CC(C)C)C
NscNumber
6993
Complexity
117
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.7
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CatalogNumber: AB74860
ChemicalName: Isobutyl isovalerate
CasNumber: 589-59-3
MolecularFormula: C9H18O2
MolecularWeight: 158.238
MdlNumber: MFCD00048349
Smiles: CC(COC(=O)CC(C)C)C
NscNumber: 6993
Complexity: 117
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.7
CatalogNumber:
AB74860
ChemicalName:
Isobutyl isovalerate
CasNumber:
589-59-3
MolecularFormula:
C9H18O2
MolecularWeight:
158.238
MdlNumber:
MFCD00048349
Smiles:
CC(COC(=O)CC(C)C)C
NscNumber:
6993
Complexity:
117
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.7
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Smiles: CC(COC(=O)C(=C)C)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(COC(=O)C(=C)C)C
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: CC(CO[N+](=O)[O-])C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CO[N+](=O)[O-])C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(COS(=O)(=O)c1ccc(cc1)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COS(=O)(=O)c1ccc(cc1)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__