AC38916
78981-22-3 | 3-(4-Methyl-benzylsulfanyl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AC38916
ChemicalName
3-(4-Methyl-benzylsulfanyl)-propionic acid
CasNumber
78981-22-3
MolecularFormula
C11H14O2S
MolecularWeight
210.2927
MdlNumber
MFCD00077142
Smiles
OC(=O)CCSCc1ccc(cc1)C
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AC38916
ChemicalName: 3-(4-Methyl-benzylsulfanyl)-propionic acid
CasNumber: 78981-22-3
MolecularFormula: C11H14O2S
MolecularWeight: 210.2927
MdlNumber: MFCD00077142
Smiles: OC(=O)CCSCc1ccc(cc1)C
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AC38916
ChemicalName:
3-(4-Methyl-benzylsulfanyl)-propionic acid
CasNumber:
78981-22-3
MolecularFormula:
C11H14O2S
MolecularWeight:
210.2927
MdlNumber:
MFCD00077142
Smiles:
OC(=O)CCSCc1ccc(cc1)C
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1coc(n1)c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1coc(n1)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC1=C(CCC1=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC1=C(CCC1=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1coc2c1c(N)ncc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1coc2c1c(N)ncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__