AD32951
40133-06-0 | 5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD32951
ChemicalName
5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
CasNumber
40133-06-0
MolecularFormula
C8H8O2S
MolecularWeight
168.21292
MdlNumber
MFCD01860021
Smiles
OC(=O)c1sc2c(c1)CCC2
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AD32951
ChemicalName: 5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
CasNumber: 40133-06-0
MolecularFormula: C8H8O2S
MolecularWeight: 168.21292
MdlNumber: MFCD01860021
Smiles: OC(=O)c1sc2c(c1)CCC2
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AD32951
ChemicalName:
5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
CasNumber:
40133-06-0
MolecularFormula:
C8H8O2S
MolecularWeight:
168.21292
MdlNumber:
MFCD01860021
Smiles:
OC(=O)c1sc2c(c1)CCC2
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccccc1F)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@@H](C(=O)O)Cc1ccccc1F)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD32956
ChemicalName: 1-Methyl-3-hydroxy-2(1H)-pyridinone
CasNumber: 19365-01-6
MolecularFormula: C6H7NO2
MolecularWeight: 125.1253
MdlNumber: MFCD11848440
Smiles: Cn1cccc(c1=O)O
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
AD32956
ChemicalName:
1-Methyl-3-hydroxy-2(1H)-pyridinone
CasNumber:
19365-01-6
MolecularFormula:
C6H7NO2
MolecularWeight:
125.1253
MdlNumber:
MFCD11848440
Smiles:
Cn1cccc(c1=O)O
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@]1(O)[C@H](O)COC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@]1(O)[C@H](O)COC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__