AB21285
22971-62-6 | 5-Oxo-5-(thiophen-2-yl)pentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB21285
ChemicalName
5-Oxo-5-(thiophen-2-yl)pentanoic acid
CasNumber
22971-62-6
MolecularFormula
C9H10O3S
MolecularWeight
198.2389
MdlNumber
MFCD00151848
Smiles
OC(=O)CCCC(=O)c1cccs1
NscNumber
80412
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.4
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CatalogNumber: AB21285
ChemicalName: 5-Oxo-5-(thiophen-2-yl)pentanoic acid
CasNumber: 22971-62-6
MolecularFormula: C9H10O3S
MolecularWeight: 198.2389
MdlNumber: MFCD00151848
Smiles: OC(=O)CCCC(=O)c1cccs1
NscNumber: 80412
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AB21285
ChemicalName:
5-Oxo-5-(thiophen-2-yl)pentanoic acid
CasNumber:
22971-62-6
MolecularFormula:
C9H10O3S
MolecularWeight:
198.2389
MdlNumber:
MFCD00151848
Smiles:
OC(=O)CCCC(=O)c1cccs1
NscNumber:
80412
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCCC(=O)c1cccnc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCCC(=O)c1cccnc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCC(=O)c1cccnc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCCC(=O)c1cccnc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB21289
ChemicalName: 1-(Pyridin-2-yl)butan-1-one
CasNumber: 22971-32-0
MolecularFormula: C9H11NO
MolecularWeight: 149.1897
MdlNumber: MFCD00778319
Smiles: CCCC(=O)c1ccccn1
NscNumber: __
Complexity: 134
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB21289
ChemicalName:
1-(Pyridin-2-yl)butan-1-one
CasNumber:
22971-32-0
MolecularFormula:
C9H11NO
MolecularWeight:
149.1897
MdlNumber:
MFCD00778319
Smiles:
CCCC(=O)c1ccccn1
NscNumber:
__
Complexity:
134
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.7