AG21044
5077-67-8 | 1-Hydroxybutan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AG21044
ChemicalName
1-Hydroxybutan-2-one
CasNumber
5077-67-8
MolecularFormula
C4H8O2
MolecularWeight
88.10512
MdlNumber
MFCD00010259
Smiles
CCC(=O)CO
Complexity
49.5
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.2
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CatalogNumber: AG21044
ChemicalName: 1-Hydroxybutan-2-one
CasNumber: 5077-67-8
MolecularFormula: C4H8O2
MolecularWeight: 88.10512
MdlNumber: MFCD00010259
Smiles: CCC(=O)CO
Complexity: 49.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AG21044
ChemicalName:
1-Hydroxybutan-2-one
CasNumber:
5077-67-8
MolecularFormula:
C4H8O2
MolecularWeight:
88.10512
MdlNumber:
MFCD00010259
Smiles:
CCC(=O)CO
Complexity:
49.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(c1Cn1nc(c2c1sc(c2)C(=O)O)C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1Cn1nc(c2c1sc(c2)C(=O)O)C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG21046
ChemicalName: 4-Pyridazinemethanol
CasNumber: 50901-43-4
MolecularFormula: C5H6N2O
MolecularWeight: 110.1139
MdlNumber: MFCD06227446
Smiles: OCc1ccnnc1
Complexity: 67.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -1.6
CatalogNumber:
AG21046
ChemicalName:
4-Pyridazinemethanol
CasNumber:
50901-43-4
MolecularFormula:
C5H6N2O
MolecularWeight:
110.1139
MdlNumber:
MFCD06227446
Smiles:
OCc1ccnnc1
Complexity:
67.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc2c(s1)c(Cl)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc2c(s1)c(Cl)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__