AB76293
1533-03-5 | 3'-(Trifluoromethyl)propiophenone
Manufacturer: A2B Chem
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CatalogNumber
AB76293
ChemicalName
3'-(Trifluoromethyl)propiophenone
CasNumber
1533-03-5
MolecularFormula
C10H9F3O
MolecularWeight
202.1731
MdlNumber
MFCD00039227
Smiles
CCC(=O)c1cccc(c1)C(F)(F)F
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AB76293
ChemicalName: 3'-(Trifluoromethyl)propiophenone
CasNumber: 1533-03-5
MolecularFormula: C10H9F3O
MolecularWeight: 202.1731
MdlNumber: MFCD00039227
Smiles: CCC(=O)c1cccc(c1)C(F)(F)F
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AB76293
ChemicalName:
3'-(Trifluoromethyl)propiophenone
CasNumber:
1533-03-5
MolecularFormula:
C10H9F3O
MolecularWeight:
202.1731
MdlNumber:
MFCD00039227
Smiles:
CCC(=O)c1cccc(c1)C(F)(F)F
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: AB76294
ChemicalName: Mucic acid
CasNumber: 526-99-8
MolecularFormula: C6H10O8
MolecularWeight: 210.1388
MdlNumber: MFCD00004239
Smiles: O[C@H]([C@H](C(=O)O)O)[C@H]([C@@H](C(=O)O)O)O
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 8
RotatableBondCount: 5
Xlogp3: -2.5
CatalogNumber:
AB76294
ChemicalName:
Mucic acid
CasNumber:
526-99-8
MolecularFormula:
C6H10O8
MolecularWeight:
210.1388
MdlNumber:
MFCD00004239
Smiles:
O[C@H]([C@H](C(=O)O)O)[C@H]([C@@H](C(=O)O)O)O
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
8
RotatableBondCount:
5
Xlogp3:
-2.5
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Smiles: O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O
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Smiles:
O[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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