AF65714
234081-98-2 | 12-(tert-Butoxy)-12-oxododecanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF65714
ChemicalName
12-(tert-Butoxy)-12-oxododecanoic acid
CasNumber
234081-98-2
MolecularFormula
C16H30O4
MolecularWeight
286.407
MdlNumber
MFCD28098251
Smiles
OC(=O)CCCCCCCCCCC(=O)OC(C)(C)C
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
13
Xlogp3
4.5
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CatalogNumber: AF65714
ChemicalName: 12-(tert-Butoxy)-12-oxododecanoic acid
CasNumber: 234081-98-2
MolecularFormula: C16H30O4
MolecularWeight: 286.407
MdlNumber: MFCD28098251
Smiles: OC(=O)CCCCCCCCCCC(=O)OC(C)(C)C
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 13
Xlogp3: 4.5
CatalogNumber:
AF65714
ChemicalName:
12-(tert-Butoxy)-12-oxododecanoic acid
CasNumber:
234081-98-2
MolecularFormula:
C16H30O4
MolecularWeight:
286.407
MdlNumber:
MFCD28098251
Smiles:
OC(=O)CCCCCCCCCCC(=O)OC(C)(C)C
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
13
Xlogp3:
4.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)NC#N
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)NC#N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])[O-].[NH4+]
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])[O-].[NH4+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Oc1ccc(c2c1cccc2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(c2c1cccc2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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