AB23077
234081-94-8 | 8-(tert-Butoxy)-8-oxooctanoic acid
Manufacturer: A2B Chem
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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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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1ccc(cc1)N1CCNCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1ccc(cc1)N1CCNCCC1
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: [O-][N+](=O)c1c2cc(ccc2cc2c1cccc2)[N+](=O)[O-]
Complexity: __
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Smiles:
[O-][N+](=O)c1c2cc(ccc2cc2c1cccc2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Oc1c(CN2CCOCC2)cc(c(c1CN1CCOCC1)O)CN1CCOCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(CN2CCOCC2)cc(c(c1CN1CCOCC1)O)CN1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__