AB69524
63128-51-8 | 5-tert-Butoxy-5-oxopentanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69524
ChemicalName
5-tert-Butoxy-5-oxopentanoic acid
CasNumber
63128-51-8
MolecularFormula
C9H16O4
MolecularWeight
188.2209
MdlNumber
MFCD09759103
Smiles
O=C(OC(C)(C)C)CCCC(=O)O
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
0.9
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CatalogNumber: AB69524
ChemicalName: 5-tert-Butoxy-5-oxopentanoic acid
CasNumber: 63128-51-8
MolecularFormula: C9H16O4
MolecularWeight: 188.2209
MdlNumber: MFCD09759103
Smiles: O=C(OC(C)(C)C)CCCC(=O)O
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 0.9
CatalogNumber:
AB69524
ChemicalName:
5-tert-Butoxy-5-oxopentanoic acid
CasNumber:
63128-51-8
MolecularFormula:
C9H16O4
MolecularWeight:
188.2209
MdlNumber:
MFCD09759103
Smiles:
O=C(OC(C)(C)C)CCCC(=O)O
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB69526
ChemicalName: 5-tert-Butylsalicylaldehyde
CasNumber: 2725-53-3
MolecularFormula: C11H14O2
MolecularWeight: 178.2277
MdlNumber: MFCD01321335
Smiles: O=Cc1cc(ccc1O)C(C)(C)C
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB69526
ChemicalName:
5-tert-Butylsalicylaldehyde
CasNumber:
2725-53-3
MolecularFormula:
C11H14O2
MolecularWeight:
178.2277
MdlNumber:
MFCD01321335
Smiles:
O=Cc1cc(ccc1O)C(C)(C)C
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AB69527
ChemicalName: 5-tert-Butyl-2-methoxybenzoic acid
CasNumber: 73469-54-2
MolecularFormula: C12H16O3
MolecularWeight: 208.2536
MdlNumber: MFCD02093964
Smiles: COc1ccc(cc1C(=O)O)C(C)(C)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AB69527
ChemicalName:
5-tert-Butyl-2-methoxybenzoic acid
CasNumber:
73469-54-2
MolecularFormula:
C12H16O3
MolecularWeight:
208.2536
MdlNumber:
MFCD02093964
Smiles:
COc1ccc(cc1C(=O)O)C(C)(C)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.3