AG26899
5462-13-5 | Ethyl 3-(3,4-dimethoxyphenyl)propionate
Manufacturer: A2B Chem
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CatalogNumber
AG26899
ChemicalName
Ethyl 3-(3,4-dimethoxyphenyl)propionate
CasNumber
5462-13-5
MolecularFormula
C13H18O4
MolecularWeight
238.27962000000008
MdlNumber
MFCD00192143
Smiles
CCOC(=O)CCc1ccc(c(c1)OC)OC
NscNumber
10090
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
7
Xlogp3
1.9
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CatalogNumber: AG26899
ChemicalName: Ethyl 3-(3,4-dimethoxyphenyl)propionate
CasNumber: 5462-13-5
MolecularFormula: C13H18O4
MolecularWeight: 238.27962000000008
MdlNumber: MFCD00192143
Smiles: CCOC(=O)CCc1ccc(c(c1)OC)OC
NscNumber: 10090
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 7
Xlogp3: 1.9
CatalogNumber:
AG26899
ChemicalName:
Ethyl 3-(3,4-dimethoxyphenyl)propionate
CasNumber:
5462-13-5
MolecularFormula:
C13H18O4
MolecularWeight:
238.27962000000008
MdlNumber:
MFCD00192143
Smiles:
CCOC(=O)CCc1ccc(c(c1)OC)OC
NscNumber:
10090
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
7
Xlogp3:
1.9
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Smiles: CC(=O)OC[C@H]1O[C@@H](Oc2ccc(cc2)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
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Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(cc2)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
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Smiles: C#Cc1c(F)c(F)c(c(c1F)F)F
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Smiles:
C#Cc1c(F)c(F)c(c(c1F)F)F
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Smiles: O=CC(c1ncc[nH]1)C=O
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=CC(c1ncc[nH]1)C=O
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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