AB02525
1798-04-5 | 4-tert-Butylphenoxyacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB02525
ChemicalName
4-tert-Butylphenoxyacetic acid
CasNumber
1798-04-5
MolecularFormula
C12H16O3
MolecularWeight
208.2536
MdlNumber
MFCD00021758
Smiles
OC(=O)COc1ccc(cc1)C(C)(C)C
NscNumber
8481
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AB02525
ChemicalName: 4-tert-Butylphenoxyacetic acid
CasNumber: 1798-04-5
MolecularFormula: C12H16O3
MolecularWeight: 208.2536
MdlNumber: MFCD00021758
Smiles: OC(=O)COc1ccc(cc1)C(C)(C)C
NscNumber: 8481
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AB02525
ChemicalName:
4-tert-Butylphenoxyacetic acid
CasNumber:
1798-04-5
MolecularFormula:
C12H16O3
MolecularWeight:
208.2536
MdlNumber:
MFCD00021758
Smiles:
OC(=O)COc1ccc(cc1)C(C)(C)C
NscNumber:
8481
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.2
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MolecularFormula: __
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Smiles: CCc1ccccc1OCC(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCc1ccccc1OCC(=O)O
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RotatableBondCount:
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Smiles: CC1(CCC=[N+]1[O-])c1ccccc1
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Smiles:
CC1(CCC=[N+]1[O-])c1ccccc1
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COCCO[Si](OCCOC)(OCCOC)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCO[Si](OCCOC)(OCCOC)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__