AF32377
2550-21-2 | 3-Methyl-2-hexanone
Manufacturer: A2B Chem
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CatalogNumber
AF32377
ChemicalName
3-Methyl-2-hexanone
CasNumber
2550-21-2
MolecularFormula
C7H14O
MolecularWeight
114.1855
MdlNumber
MFCD00039948
Smiles
CCCC(C)C(=O)C
Complexity
76.5
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AF32377
ChemicalName: 3-Methyl-2-hexanone
CasNumber: 2550-21-2
MolecularFormula: C7H14O
MolecularWeight: 114.1855
MdlNumber: MFCD00039948
Smiles: CCCC(C)C(=O)C
Complexity: 76.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AF32377
ChemicalName:
3-Methyl-2-hexanone
CasNumber:
2550-21-2
MolecularFormula:
C7H14O
MolecularWeight:
114.1855
MdlNumber:
MFCD00039948
Smiles:
CCCC(C)C(=O)C
Complexity:
76.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=C(C2=CC=CC=C2C(=C1C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC1=C(C2=CC=CC=C2C(=C1C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: Cc1cccc(c1)OCC1CO1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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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:
Cc1cccc(c1)OCC1CO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCC(=O)CC1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCC(=O)CC1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__