AI36481
14779-24-9 | 3-(5-Methyl-thiophen-2-yl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AI36481
ChemicalName
3-(5-Methyl-thiophen-2-yl)-propionic acid
CasNumber
14779-24-9
MolecularFormula
C8H10O2S
MolecularWeight
170.2288
MdlNumber
MFCD06589831
Smiles
Cc1ccc(s1)CCC(=O)O
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AI36481
ChemicalName: 3-(5-Methyl-thiophen-2-yl)-propionic acid
CasNumber: 14779-24-9
MolecularFormula: C8H10O2S
MolecularWeight: 170.2288
MdlNumber: MFCD06589831
Smiles: Cc1ccc(s1)CCC(=O)O
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI36481
ChemicalName:
3-(5-Methyl-thiophen-2-yl)-propionic acid
CasNumber:
14779-24-9
MolecularFormula:
C8H10O2S
MolecularWeight:
170.2288
MdlNumber:
MFCD06589831
Smiles:
Cc1ccc(s1)CCC(=O)O
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
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MolecularFormula: __
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Smiles: Fc1ccccc1Oc1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
Fc1ccccc1Oc1ccc(cc1)[N+](=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CN(C(=O)OC(C)(C)C)C1CCC2(CC1)OCCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN(C(=O)OC(C)(C)C)C1CCC2(CC1)OCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCOC1=[O][Al+3]([O]=C([CH-]1)C)([O-]C(C)C)[O-]C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC1=[O][Al+3]([O]=C([CH-]1)C)([O-]C(C)C)[O-]C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__