AB45151
65626-23-5 | 2-(oxan-4-yl)acetaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB45151
ChemicalName
2-(oxan-4-yl)acetaldehyde
CasNumber
65626-23-5
MolecularFormula
C7H12O2
MolecularWeight
128.169
MdlNumber
MFCD03425265
Smiles
O=CCC1CCOCC1
Complexity
84.9
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AB45151
ChemicalName: 2-(oxan-4-yl)acetaldehyde
CasNumber: 65626-23-5
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD03425265
Smiles: O=CCC1CCOCC1
Complexity: 84.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB45151
ChemicalName:
2-(oxan-4-yl)acetaldehyde
CasNumber:
65626-23-5
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD03425265
Smiles:
O=CCC1CCOCC1
Complexity:
84.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: AB45152
ChemicalName: 4-Thiouracil
CasNumber: 591-28-6
MolecularFormula: C4H4N2OS
MolecularWeight: 128.1524
MdlNumber: MFCD00090842
Smiles: S=c1cc[nH]c(=O)[nH]1
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: -0.5
CatalogNumber:
AB45152
ChemicalName:
4-Thiouracil
CasNumber:
591-28-6
MolecularFormula:
C4H4N2OS
MolecularWeight:
128.1524
MdlNumber:
MFCD00090842
Smiles:
S=c1cc[nH]c(=O)[nH]1
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1)C)O
Complexity: 97.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1)C)O
Complexity:
97.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45154
ChemicalName: 4-(Trifluoromethoxy)benzaldehyde
CasNumber: 659-28-9
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193
MdlNumber: MFCD00041530
Smiles: O=Cc1ccc(cc1)OC(F)(F)F
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB45154
ChemicalName:
4-(Trifluoromethoxy)benzaldehyde
CasNumber:
659-28-9
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193
MdlNumber:
MFCD00041530
Smiles:
O=Cc1ccc(cc1)OC(F)(F)F
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3