AB38612
29689-63-2 | 3-(Benzylamino)-3-oxopropionic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB38612
ChemicalName
3-(Benzylamino)-3-oxopropionic acid ethyl ester
CasNumber
29689-63-2
MolecularFormula
C12H15NO3
MolecularWeight
221.2524
MdlNumber
MFCD28128094
Smiles
CCOC(=O)CC(=O)NCc1ccccc1
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.4
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CatalogNumber: AB38612
ChemicalName: 3-(Benzylamino)-3-oxopropionic acid ethyl ester
CasNumber: 29689-63-2
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD28128094
Smiles: CCOC(=O)CC(=O)NCc1ccccc1
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.4
CatalogNumber:
AB38612
ChemicalName:
3-(Benzylamino)-3-oxopropionic acid ethyl ester
CasNumber:
29689-63-2
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD28128094
Smiles:
CCOC(=O)CC(=O)NCc1ccccc1
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)[O-].[Cr+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)[O-].[Cr+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCC(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB38617
ChemicalName: Burgess reagent
CasNumber: 29684-56-8
MolecularFormula: C8H20N2O5S
MolecularWeight: 256.3198
MdlNumber: MFCD00077815
Smiles: COC(=O)NS(=O)(=O)[N+](CC)(CC)CC.[OH-]
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AB38617
ChemicalName:
Burgess reagent
CasNumber:
29684-56-8
MolecularFormula:
C8H20N2O5S
MolecularWeight:
256.3198
MdlNumber:
MFCD00077815
Smiles:
COC(=O)NS(=O)(=O)[N+](CC)(CC)CC.[OH-]
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
2