AG24826
4652-27-1 | 4-Methoxy-3-buten-2-one
Manufacturer: A2B Chem
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CatalogNumber
AG24826
ChemicalName
4-Methoxy-3-buten-2-one
CasNumber
4652-27-1
MolecularFormula
C5H8O2
MolecularWeight
100.1158
MdlNumber
MFCD00008778
Smiles
COC=CC(=O)C
Complexity
84.1
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AG24826
ChemicalName: 4-Methoxy-3-buten-2-one
CasNumber: 4652-27-1
MolecularFormula: C5H8O2
MolecularWeight: 100.1158
MdlNumber: MFCD00008778
Smiles: COC=CC(=O)C
Complexity: 84.1
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AG24826
ChemicalName:
4-Methoxy-3-buten-2-one
CasNumber:
4652-27-1
MolecularFormula:
C5H8O2
MolecularWeight:
100.1158
MdlNumber:
MFCD00008778
Smiles:
COC=CC(=O)C
Complexity:
84.1
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AG24828
ChemicalName: 2-Methyl-3-oxobutanenitrile
CasNumber: 4468-47-7
MolecularFormula: C5H7NO
MolecularWeight: 97.11518000000001
MdlNumber: MFCD06797631
Smiles: CC(C(=O)C)C#N
Complexity: 119
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AG24828
ChemicalName:
2-Methyl-3-oxobutanenitrile
CasNumber:
4468-47-7
MolecularFormula:
C5H7NO
MolecularWeight:
97.11518000000001
MdlNumber:
MFCD06797631
Smiles:
CC(C(=O)C)C#N
Complexity:
119
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(N)ccc1OCC.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(N)ccc1OCC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc(c(c1)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1ccc(c(c1)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__