AF00658
15879-60-4 | 2-Hydroxy-3-methyl-2-phenylbutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00658
ChemicalName
2-Hydroxy-3-methyl-2-phenylbutanoic acid
CasNumber
15879-60-4
MolecularFormula
C11H14O3
MolecularWeight
194.2271
MdlNumber
MFCD00021679
Smiles
CC(C(c1ccccc1)(C(=O)O)O)C
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2
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CatalogNumber: AF00658
ChemicalName: 2-Hydroxy-3-methyl-2-phenylbutanoic acid
CasNumber: 15879-60-4
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD00021679
Smiles: CC(C(c1ccccc1)(C(=O)O)O)C
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2
CatalogNumber:
AF00658
ChemicalName:
2-Hydroxy-3-methyl-2-phenylbutanoic acid
CasNumber:
15879-60-4
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD00021679
Smiles:
CC(C(c1ccccc1)(C(=O)O)O)C
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2
CatalogNumber: AF00659
ChemicalName: Methyl 4-chloro-3-(methylsulfanyl)benzoate
CasNumber: 166811-70-7
MolecularFormula: C9H9ClO2S
MolecularWeight: 216.6846
MdlNumber: MFCD22489119
Smiles: COC(=O)c1ccc(c(c1)SC)Cl
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
AF00659
ChemicalName:
Methyl 4-chloro-3-(methylsulfanyl)benzoate
CasNumber:
166811-70-7
MolecularFormula:
C9H9ClO2S
MolecularWeight:
216.6846
MdlNumber:
MFCD22489119
Smiles:
COC(=O)c1ccc(c(c1)SC)Cl
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.9
CatalogNumber: AF00660
ChemicalName: Methyl 4-(2,5-dimethoxyphenyl)benzoate
CasNumber: 1437794-61-0
MolecularFormula: C16H16O4
MolecularWeight: 272.2958
MdlNumber: MFCD24448855
Smiles: COc1ccc(c(c1)c1ccc(cc1)C(=O)OC)OC
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 3.3
CatalogNumber:
AF00660
ChemicalName:
Methyl 4-(2,5-dimethoxyphenyl)benzoate
CasNumber:
1437794-61-0
MolecularFormula:
C16H16O4
MolecularWeight:
272.2958
MdlNumber:
MFCD24448855
Smiles:
COc1ccc(c(c1)c1ccc(cc1)C(=O)OC)OC
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__