AB18519
20826-94-2 | Ethyl 2-oxocyclopentylacetate
Manufacturer: A2B Chem
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CatalogNumber
AB18519
ChemicalName
Ethyl 2-oxocyclopentylacetate
CasNumber
20826-94-2
MolecularFormula
C9H14O3
MolecularWeight
170.2057
MdlNumber
MFCD00044715
Smiles
CCOC(=O)CC1CCCC1=O
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AB18519
ChemicalName: Ethyl 2-oxocyclopentylacetate
CasNumber: 20826-94-2
MolecularFormula: C9H14O3
MolecularWeight: 170.2057
MdlNumber: MFCD00044715
Smiles: CCOC(=O)CC1CCCC1=O
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AB18519
ChemicalName:
Ethyl 2-oxocyclopentylacetate
CasNumber:
20826-94-2
MolecularFormula:
C9H14O3
MolecularWeight:
170.2057
MdlNumber:
MFCD00044715
Smiles:
CCOC(=O)CC1CCCC1=O
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: AB18521
ChemicalName: 5-Bromonicotinic acid
CasNumber: 20826-04-4
MolecularFormula: C6H4BrNO2
MolecularWeight: 202.00545999999994
MdlNumber: MFCD00009783
Smiles: OC(=O)c1cc(Br)cnc1
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AB18521
ChemicalName:
5-Bromonicotinic acid
CasNumber:
20826-04-4
MolecularFormula:
C6H4BrNO2
MolecularWeight:
202.00545999999994
MdlNumber:
MFCD00009783
Smiles:
OC(=O)c1cc(Br)cnc1
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: AB18522
ChemicalName: 5-Methoxynicotinic acid
CasNumber: 20826-03-3
MolecularFormula: C7H7NO3
MolecularWeight: 153.13538
MdlNumber: MFCD01603648
Smiles: COc1cncc(c1)C(=O)O
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.3
CatalogNumber:
AB18522
ChemicalName:
5-Methoxynicotinic acid
CasNumber:
20826-03-3
MolecularFormula:
C7H7NO3
MolecularWeight:
153.13538
MdlNumber:
MFCD01603648
Smiles:
COc1cncc(c1)C(=O)O
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cncc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cncc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__