AB38116
2955-46-6 | 2-(4-Methoxyphenyl)-2-methylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB38116
ChemicalName
2-(4-Methoxyphenyl)-2-methylpropanoic acid
CasNumber
2955-46-6
MolecularFormula
C11H14O3
MolecularWeight
194.2271
MdlNumber
MFCD01757449
Smiles
COc1ccc(cc1)C(C(=O)O)(C)C
NscNumber
85715
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AB38116
ChemicalName: 2-(4-Methoxyphenyl)-2-methylpropanoic acid
CasNumber: 2955-46-6
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD01757449
Smiles: COc1ccc(cc1)C(C(=O)O)(C)C
NscNumber: 85715
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AB38116
ChemicalName:
2-(4-Methoxyphenyl)-2-methylpropanoic acid
CasNumber:
2955-46-6
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD01757449
Smiles:
COc1ccc(cc1)C(C(=O)O)(C)C
NscNumber:
85715
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.3
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Smiles: Clc1ccc2c(c1)C(=[N+]([O-])CC(=O)N2)c1ccccc1Cl
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Smiles:
Clc1ccc2c(c1)C(=[N+]([O-])CC(=O)N2)c1ccccc1Cl
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Smiles: O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C
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Smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1cc(ccc1O)C[C@@]1(O)CO[C@@H]([C@H]1CO)c1ccc(c(c1)OC)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(ccc1O)C[C@@]1(O)CO[C@@H]([C@H]1CO)c1ccc(c(c1)OC)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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