AI59893
893723-81-4 | 6-(Thiophen-3-yl)picolinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI59893
ChemicalName
6-(Thiophen-3-yl)picolinic acid
CasNumber
893723-81-4
MolecularFormula
C10H7NO2S
MolecularWeight
205.2331
MdlNumber
MFCD06496617
Smiles
OC(=O)c1cccc(n1)c1cscc1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AI59893
ChemicalName: 6-(Thiophen-3-yl)picolinic acid
CasNumber: 893723-81-4
MolecularFormula: C10H7NO2S
MolecularWeight: 205.2331
MdlNumber: MFCD06496617
Smiles: OC(=O)c1cccc(n1)c1cscc1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI59893
ChemicalName:
6-(Thiophen-3-yl)picolinic acid
CasNumber:
893723-81-4
MolecularFormula:
C10H7NO2S
MolecularWeight:
205.2331
MdlNumber:
MFCD06496617
Smiles:
OC(=O)c1cccc(n1)c1cscc1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AI59894
ChemicalName: 1,1-Bis(propan-2-yl) 3-oxocyclobutane-1,1-dicarboxylate
CasNumber: 893724-10-2
MolecularFormula: C12H18O5
MolecularWeight: 242.2683
MdlNumber: MFCD06742778
Smiles: CC(OC(=O)C1(CC(=O)C1)C(=O)OC(C)C)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 1
CatalogNumber:
AI59894
ChemicalName:
1,1-Bis(propan-2-yl) 3-oxocyclobutane-1,1-dicarboxylate
CasNumber:
893724-10-2
MolecularFormula:
C12H18O5
MolecularWeight:
242.2683
MdlNumber:
MFCD06742778
Smiles:
CC(OC(=O)C1(CC(=O)C1)C(=O)OC(C)C)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)Cc1cnc(s1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)Cc1cnc(s1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI59896
ChemicalName: 1-(Cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CasNumber: 893724-94-2
MolecularFormula: C10H13NO2
MolecularWeight: 179.21572000000006
MdlNumber: MFCD06496598
Smiles: Oc1cc(C)n(c(=O)c1)CC1CC1
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AI59896
ChemicalName:
1-(Cyclopropylmethyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CasNumber:
893724-94-2
MolecularFormula:
C10H13NO2
MolecularWeight:
179.21572000000006
MdlNumber:
MFCD06496598
Smiles:
Oc1cc(C)n(c(=O)c1)CC1CC1
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9