AB59385
957483-88-4 | 1-(Oxan-2-yl)pyrazole-5-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB59385
ChemicalName
1-(Oxan-2-yl)pyrazole-5-carbaldehyde
CasNumber
957483-88-4
MolecularFormula
C9H12N2O2
MolecularWeight
180.2038
MdlNumber
MFCD07186538
Smiles
O=Cc1ccnn1C1CCCCO1
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AB59385
ChemicalName: 1-(Oxan-2-yl)pyrazole-5-carbaldehyde
CasNumber: 957483-88-4
MolecularFormula: C9H12N2O2
MolecularWeight: 180.2038
MdlNumber: MFCD07186538
Smiles: O=Cc1ccnn1C1CCCCO1
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AB59385
ChemicalName:
1-(Oxan-2-yl)pyrazole-5-carbaldehyde
CasNumber:
957483-88-4
MolecularFormula:
C9H12N2O2
MolecularWeight:
180.2038
MdlNumber:
MFCD07186538
Smiles:
O=Cc1ccnn1C1CCCCO1
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: AB59386
ChemicalName: 2-(Tetrahydropyran-4-yloxy)aniline
CasNumber: 898289-35-5
MolecularFormula: C11H15NO2
MolecularWeight: 193.2423
MdlNumber: MFCD09025872
Smiles: Nc1ccccc1OC1CCOCC1
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AB59386
ChemicalName:
2-(Tetrahydropyran-4-yloxy)aniline
CasNumber:
898289-35-5
MolecularFormula:
C11H15NO2
MolecularWeight:
193.2423
MdlNumber:
MFCD09025872
Smiles:
Nc1ccccc1OC1CCOCC1
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: AB59387
ChemicalName: 2-(Thiophen-2-yl)-1,3,2-dioxaborinane
CasNumber: 197024-83-2
MolecularFormula: C7H9BO2S
MolecularWeight: 168.0212
MdlNumber: MFCD11053858
Smiles: C1COB(OC1)c1cccs1
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB59387
ChemicalName:
2-(Thiophen-2-yl)-1,3,2-dioxaborinane
CasNumber:
197024-83-2
MolecularFormula:
C7H9BO2S
MolecularWeight:
168.0212
MdlNumber:
MFCD11053858
Smiles:
C1COB(OC1)c1cccs1
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)OCCc1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)OCCc1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__