AE39076
126926-38-3 | Methyl 3-(diethylcarbamoyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE39076
ChemicalName
Methyl 3-(diethylcarbamoyl)benzoate
CasNumber
126926-38-3
MolecularFormula
C13H17NO3
MolecularWeight
235.279
MdlNumber
MFCD09234635
Smiles
CCN(C(=O)c1cccc(c1)C(=O)OC)CC
Complexity
274
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
1.1
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CatalogNumber: AE39076
ChemicalName: Methyl 3-(diethylcarbamoyl)benzoate
CasNumber: 126926-38-3
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD09234635
Smiles: CCN(C(=O)c1cccc(c1)C(=O)OC)CC
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.1
CatalogNumber:
AE39076
ChemicalName:
Methyl 3-(diethylcarbamoyl)benzoate
CasNumber:
126926-38-3
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD09234635
Smiles:
CCN(C(=O)c1cccc(c1)C(=O)OC)CC
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])OCC1OC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
O=C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])OCC1OC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: COC(=O)C1CC(=O)c2c(O1)ccc(c2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CC(=O)c2c(O1)ccc(c2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)/N=N/c1cc(O)cc(c1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)/N=N/c1cc(O)cc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__