AA79310
15726-15-5 | 3-Methyl-4-heptanone
Manufacturer: A2B Chem
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CatalogNumber
AA79310
ChemicalName
3-Methyl-4-heptanone
CasNumber
15726-15-5
MolecularFormula
C8H16O
MolecularWeight
128.212
MdlNumber
MFCD00048721
Smiles
CCCC(=O)C(CC)C
Complexity
86.6
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AA79310
ChemicalName: 3-Methyl-4-heptanone
CasNumber: 15726-15-5
MolecularFormula: C8H16O
MolecularWeight: 128.212
MdlNumber: MFCD00048721
Smiles: CCCC(=O)C(CC)C
Complexity: 86.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AA79310
ChemicalName:
3-Methyl-4-heptanone
CasNumber:
15726-15-5
MolecularFormula:
C8H16O
MolecularWeight:
128.212
MdlNumber:
MFCD00048721
Smiles:
CCCC(=O)C(CC)C
Complexity:
86.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Nc2ccc(cc2C(=O)O)[N+](=O)[O-])cc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cc(Nc2ccc(cc2C(=O)O)[N+](=O)[O-])cc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: N#Cc1cnc2c(c1Cl)ccc(c2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cnc2c(c1Cl)ccc(c2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=C[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__