AB47691
13865-19-5 | 4-Oxobutanoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB47691
ChemicalName
4-Oxobutanoic acid methyl ester
CasNumber
13865-19-5
MolecularFormula
C5H8O3
MolecularWeight
116.1152
MdlNumber
MFCD00082185
Smiles
COC(=O)CCC=O
Complexity
87.7
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
-0.5
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CatalogNumber: AB47691
ChemicalName: 4-Oxobutanoic acid methyl ester
CasNumber: 13865-19-5
MolecularFormula: C5H8O3
MolecularWeight: 116.1152
MdlNumber: MFCD00082185
Smiles: COC(=O)CCC=O
Complexity: 87.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: -0.5
CatalogNumber:
AB47691
ChemicalName:
4-Oxobutanoic acid methyl ester
CasNumber:
13865-19-5
MolecularFormula:
C5H8O3
MolecularWeight:
116.1152
MdlNumber:
MFCD00082185
Smiles:
COC(=O)CCC=O
Complexity:
87.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47693
ChemicalName: Dl-4-amino-3-hydroxybutyric acid
CasNumber: 924-49-2
MolecularFormula: C4H9NO3
MolecularWeight: 119.1192
MdlNumber: MFCD00008141
Smiles: NCC(CC(=O)O)O
Complexity: 83.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: -4.1
CatalogNumber:
AB47693
ChemicalName:
Dl-4-amino-3-hydroxybutyric acid
CasNumber:
924-49-2
MolecularFormula:
C4H9NO3
MolecularWeight:
119.1192
MdlNumber:
MFCD00008141
Smiles:
NCC(CC(=O)O)O
Complexity:
83.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
-4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1cnc(cn1)C
Complexity: 83
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1cnc(cn1)C
Complexity:
83
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1