AB52738
71510-95-7 | Ethyl-n-methyl malonamide
Manufacturer: A2B Chem
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CatalogNumber
AB52738
ChemicalName
Ethyl-n-methyl malonamide
CasNumber
71510-95-7
MolecularFormula
C6H11NO3
MolecularWeight
145.1564
MdlNumber
MFCD08458724
Smiles
CCOC(=O)CC(=O)NC
Complexity
133
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
-0.1
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CatalogNumber: AB52738
ChemicalName: Ethyl-n-methyl malonamide
CasNumber: 71510-95-7
MolecularFormula: C6H11NO3
MolecularWeight: 145.1564
MdlNumber: MFCD08458724
Smiles: CCOC(=O)CC(=O)NC
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: -0.1
CatalogNumber:
AB52738
ChemicalName:
Ethyl-n-methyl malonamide
CasNumber:
71510-95-7
MolecularFormula:
C6H11NO3
MolecularWeight:
145.1564
MdlNumber:
MFCD08458724
Smiles:
CCOC(=O)CC(=O)NC
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C/C=C(/CCC(=O)[O-])C)c(O)c2c(c1C)COC2=O.[Na+]
Complexity: 492
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C/C=C(/CCC(=O)[O-])C)c(O)c2c(c1C)COC2=O.[Na+]
Complexity:
492
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN[C@@H](c1cccc2c1cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN[C@@H](c1cccc2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52741
ChemicalName: Methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CasNumber: 7442-52-6
MolecularFormula: C12H12O3
MolecularWeight: 204.2219
MdlNumber: MFCD00667560
Smiles: COC(=O)C1CCc2c(C1=O)cccc2
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB52741
ChemicalName:
Methyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CasNumber:
7442-52-6
MolecularFormula:
C12H12O3
MolecularWeight:
204.2219
MdlNumber:
MFCD00667560
Smiles:
COC(=O)C1CCc2c(C1=O)cccc2
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.1