AI53055
5834-15-1 | 3-(4-Methylthiophen-2-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI53055
ChemicalName
3-(4-Methylthiophen-2-yl)propanoic acid
CasNumber
5834-15-1
MolecularFormula
C8H10O2S
MolecularWeight
170.2288
MdlNumber
MFCD20642686
Smiles
Cc1cc(sc1)CCC(=O)O
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AI53055
ChemicalName: 3-(4-Methylthiophen-2-yl)propanoic acid
CasNumber: 5834-15-1
MolecularFormula: C8H10O2S
MolecularWeight: 170.2288
MdlNumber: MFCD20642686
Smiles: Cc1cc(sc1)CCC(=O)O
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI53055
ChemicalName:
3-(4-Methylthiophen-2-yl)propanoic acid
CasNumber:
5834-15-1
MolecularFormula:
C8H10O2S
MolecularWeight:
170.2288
MdlNumber:
MFCD20642686
Smiles:
Cc1cc(sc1)CCC(=O)O
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Cc1cc(Cl)n2c(n1)c(Br)cn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1cc(Cl)n2c(n1)c(Br)cn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnn2c1nc(C)cc2O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1cnn2c1nc(C)cc2O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Brc1cc(I)c(c(c1)[N+](=O)[O-])O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(I)c(c(c1)[N+](=O)[O-])O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__