AB73746
372-30-5 | Ethyl 4,4,4-trifluoro-3-hydroxybutanoate
Manufacturer: A2B Chem
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CatalogNumber
AB73746
ChemicalName
Ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CasNumber
372-30-5
MolecularFormula
C6H9F3O3
MolecularWeight
186.12906959999998
MdlNumber
MFCD00040842
Smiles
CCOC(=O)CC(C(F)(F)F)O
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AB73746
ChemicalName: Ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CasNumber: 372-30-5
MolecularFormula: C6H9F3O3
MolecularWeight: 186.12906959999998
MdlNumber: MFCD00040842
Smiles: CCOC(=O)CC(C(F)(F)F)O
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AB73746
ChemicalName:
Ethyl 4,4,4-trifluoro-3-hydroxybutanoate
CasNumber:
372-30-5
MolecularFormula:
C6H9F3O3
MolecularWeight:
186.12906959999998
MdlNumber:
MFCD00040842
Smiles:
CCOC(=O)CC(C(F)(F)F)O
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: AB73747
ChemicalName: Ethyl 3-hydroxybenzoate
CasNumber: 7781-98-8
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00002296
Smiles: CCOC(=O)c1cccc(c1)O
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AB73747
ChemicalName:
Ethyl 3-hydroxybenzoate
CasNumber:
7781-98-8
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00002296
Smiles:
CCOC(=O)c1cccc(c1)O
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1CCCC(C1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1CCCC(C1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1oc2c(c1O)ccnc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1oc2c(c1O)ccnc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__