AA99280
17653-94-0 | 2-(3-Methoxyphenyl)-2-methylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA99280
ChemicalName
2-(3-Methoxyphenyl)-2-methylpropanoic acid
CasNumber
17653-94-0
MolecularFormula
C11H14O3
MolecularWeight
194.2271
MdlNumber
MFCD09414710
Smiles
COc1cccc(c1)C(C(=O)O)(C)C
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AA99280
ChemicalName: 2-(3-Methoxyphenyl)-2-methylpropanoic acid
CasNumber: 17653-94-0
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD09414710
Smiles: COc1cccc(c1)C(C(=O)O)(C)C
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AA99280
ChemicalName:
2-(3-Methoxyphenyl)-2-methylpropanoic acid
CasNumber:
17653-94-0
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD09414710
Smiles:
COc1cccc(c1)C(C(=O)O)(C)C
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: AA99281
ChemicalName: 2-(3-Methoxyphenyl)-2-methylpropanenitrile
CasNumber: 17653-93-9
MolecularFormula: C11H13NO
MolecularWeight: 175.227
MdlNumber: MFCD09414739
Smiles: N#CC(c1cccc(c1)OC)(C)C
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AA99281
ChemicalName:
2-(3-Methoxyphenyl)-2-methylpropanenitrile
CasNumber:
17653-93-9
MolecularFormula:
C11H13NO
MolecularWeight:
175.227
MdlNumber:
MFCD09414739
Smiles:
N#CC(c1cccc(c1)OC)(C)C
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1noc(c1)c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1noc(c1)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]([C@@H](COC(=O)c1ccccc1)O)COC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]([C@@H](COC(=O)c1ccccc1)O)COC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__