AI55595
729600-41-3 | Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)amino]-, methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI55595
ChemicalName
Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)amino]-, methyl ester
CasNumber
729600-41-3
MolecularFormula
C12H15NO4
MolecularWeight
237.2518
MdlNumber
MFCD27928032
Smiles
CCOC(=O)CNc1ccc(cc1)C(=O)OC
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
2
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CatalogNumber: AI55595
ChemicalName: Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)amino]-, methyl ester
CasNumber: 729600-41-3
MolecularFormula: C12H15NO4
MolecularWeight: 237.2518
MdlNumber: MFCD27928032
Smiles: CCOC(=O)CNc1ccc(cc1)C(=O)OC
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 2
CatalogNumber:
AI55595
ChemicalName:
Benzoic acid, 4-[(2-ethoxy-2-oxoethyl)amino]-, methyl ester
CasNumber:
729600-41-3
MolecularFormula:
C12H15NO4
MolecularWeight:
237.2518
MdlNumber:
MFCD27928032
Smiles:
CCOC(=O)CNc1ccc(cc1)C(=O)OC
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c(N)scc1CC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1c(N)scc1CC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: OCC1CC(C(O1)n1cnc2c1ncnc2N)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OCC1CC(C(O1)n1cnc2c1ncnc2N)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
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MdlNumber: __
Smiles: CCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__