AB50686
815-77-0 | 4-Hydroxy-2,5-dimethylhexan-3-one
Manufacturer: A2B Chem
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CatalogNumber
AB50686
ChemicalName
4-Hydroxy-2,5-dimethylhexan-3-one
CasNumber
815-77-0
MolecularFormula
C8H16O2
MolecularWeight
144.2114
MdlNumber
MFCD00008920
Smiles
CC(C(=O)C(C(C)C)O)C
NscNumber
23088
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AB50686
ChemicalName: 4-Hydroxy-2,5-dimethylhexan-3-one
CasNumber: 815-77-0
MolecularFormula: C8H16O2
MolecularWeight: 144.2114
MdlNumber: MFCD00008920
Smiles: CC(C(=O)C(C(C)C)O)C
NscNumber: 23088
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AB50686
ChemicalName:
4-Hydroxy-2,5-dimethylhexan-3-one
CasNumber:
815-77-0
MolecularFormula:
C8H16O2
MolecularWeight:
144.2114
MdlNumber:
MFCD00008920
Smiles:
CC(C(=O)C(C(C)C)O)C
NscNumber:
23088
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)O.OCC[N+](C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
[O-]C(=O)O.OCC[N+](C)(C)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB50688
ChemicalName: Solvent violet 13
CasNumber: 81-48-1
MolecularFormula: C21H15NO3
MolecularWeight: 329.3487
MdlNumber: MFCD00019148
Smiles: Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB50688
ChemicalName:
Solvent violet 13
CasNumber:
81-48-1
MolecularFormula:
C21H15NO3
MolecularWeight:
329.3487
MdlNumber:
MFCD00019148
Smiles:
Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CNCCO1.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CNCCO1.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__