AB12973
19156-54-8 | 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB12973
ChemicalName
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CasNumber
19156-54-8
MolecularFormula
C9H10O2S
MolecularWeight
182.2395
MdlNumber
MFCD00652575
Smiles
OC(=O)c1csc2c1CCCC2
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB12973
ChemicalName: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CasNumber: 19156-54-8
MolecularFormula: C9H10O2S
MolecularWeight: 182.2395
MdlNumber: MFCD00652575
Smiles: OC(=O)c1csc2c1CCCC2
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB12973
ChemicalName:
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CasNumber:
19156-54-8
MolecularFormula:
C9H10O2S
MolecularWeight:
182.2395
MdlNumber:
MFCD00652575
Smiles:
OC(=O)c1csc2c1CCCC2
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1scc(c1)C(=O)O
Complexity: 136
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1scc(c1)C(=O)O
Complexity:
136
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1scc(c1)C(=O)O
Complexity: 124
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1scc(c1)C(=O)O
Complexity:
124
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1csc(c1C)CCOC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1csc(c1C)CCOC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__