AD47321
3243-41-2 | 3-(4-Butoxyphenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD47321
ChemicalName
3-(4-Butoxyphenyl)propanoic acid
CasNumber
3243-41-2
MolecularFormula
C13H18O3
MolecularWeight
222.2802
MdlNumber
MFCD06823982
Smiles
CCCCOc1ccc(cc1)CCC(=O)O
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
3.2
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CatalogNumber: AD47321
ChemicalName: 3-(4-Butoxyphenyl)propanoic acid
CasNumber: 3243-41-2
MolecularFormula: C13H18O3
MolecularWeight: 222.2802
MdlNumber: MFCD06823982
Smiles: CCCCOc1ccc(cc1)CCC(=O)O
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 3.2
CatalogNumber:
AD47321
ChemicalName:
3-(4-Butoxyphenyl)propanoic acid
CasNumber:
3243-41-2
MolecularFormula:
C13H18O3
MolecularWeight:
222.2802
MdlNumber:
MFCD06823982
Smiles:
CCCCOc1ccc(cc1)CCC(=O)O
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3.2
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Smiles: BrCC(=O)Nc1c(C)cccc1C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
BrCC(=O)Nc1c(C)cccc1C
Complexity:
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Smiles: Oc1nccc2c1nc[nH]2
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Oc1nccc2c1nc[nH]2
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Smiles: ClCC(=O)Nc1c(C)cccc1CC
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
ClCC(=O)Nc1c(C)cccc1CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__