AB23076
234081-96-0 | 10-(tert-Butoxy)-10-oxodecanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB23076
ChemicalName
10-(tert-Butoxy)-10-oxodecanoic acid
CasNumber
234081-96-0
MolecularFormula
C14H26O4
MolecularWeight
258.3538
MdlNumber
MFCD28505598
Smiles
OC(=O)CCCCCCCCC(=O)OC(C)(C)C
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
11
Xlogp3
3.4
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CatalogNumber: AB23076
ChemicalName: 10-(tert-Butoxy)-10-oxodecanoic acid
CasNumber: 234081-96-0
MolecularFormula: C14H26O4
MolecularWeight: 258.3538
MdlNumber: MFCD28505598
Smiles: OC(=O)CCCCCCCCC(=O)OC(C)(C)C
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 11
Xlogp3: 3.4
CatalogNumber:
AB23076
ChemicalName:
10-(tert-Butoxy)-10-oxodecanoic acid
CasNumber:
234081-96-0
MolecularFormula:
C14H26O4
MolecularWeight:
258.3538
MdlNumber:
MFCD28505598
Smiles:
OC(=O)CCCCCCCCC(=O)OC(C)(C)C
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
11
Xlogp3:
3.4
CatalogNumber: AB23077
ChemicalName: 8-(tert-Butoxy)-8-oxooctanoic acid
CasNumber: 234081-94-8
MolecularFormula: C12H22O4
MolecularWeight: 230.30067999999997
MdlNumber: MFCD28505597
Smiles: OC(=O)CCCCCCC(=O)OC(C)(C)C
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 2.3
CatalogNumber:
AB23077
ChemicalName:
8-(tert-Butoxy)-8-oxooctanoic acid
CasNumber:
234081-94-8
MolecularFormula:
C12H22O4
MolecularWeight:
230.30067999999997
MdlNumber:
MFCD28505597
Smiles:
OC(=O)CCCCCCC(=O)OC(C)(C)C
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
2.3
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Smiles: CCOC(=O)c1ccc(cc1)N1CCNCCC1
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Smiles:
CCOC(=O)c1ccc(cc1)N1CCNCCC1
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Smiles: [O-][N+](=O)c1c2cc(ccc2cc2c1cccc2)[N+](=O)[O-]
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Smiles:
[O-][N+](=O)c1c2cc(ccc2cc2c1cccc2)[N+](=O)[O-]
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HeavyAtomCount:
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