AC51542
711-02-4 | Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC51542
ChemicalName
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
CasNumber
711-02-4
MolecularFormula
C10H14O4
MolecularWeight
198.21576000000002
MdlNumber
MFCD00498000
Smiles
OC(=O)C12CCC(CC1)(CC2)C(=O)O
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AC51542
ChemicalName: Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
CasNumber: 711-02-4
MolecularFormula: C10H14O4
MolecularWeight: 198.21576000000002
MdlNumber: MFCD00498000
Smiles: OC(=O)C12CCC(CC1)(CC2)C(=O)O
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AC51542
ChemicalName:
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid
CasNumber:
711-02-4
MolecularFormula:
C10H14O4
MolecularWeight:
198.21576000000002
MdlNumber:
MFCD00498000
Smiles:
OC(=O)C12CCC(CC1)(CC2)C(=O)O
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(OC(C)(C)C)N[C@@H](C1CCOCC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(OC(C)(C)C)N[C@@H](C1CCOCC1)C(=O)O
Complexity:
__
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HeavyAtomCount:
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Smiles: CCCCC([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C(/CCCC(=O)O)C#N)/O2)O)C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
CCCCC([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C/C(=C(/CCCC(=O)O)C#N)/O2)O)C
Complexity:
__
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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Xlogp3:
__
CatalogNumber: __
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MolecularFormula: __
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Smiles: Cc1cccc(c1)CSc1ccccc1N
Complexity: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1cccc(c1)CSc1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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