AC66993
72653-14-6 | 4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid
Manufacturer: A2B Chem
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CatalogNumber
AC66993
ChemicalName
4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid
CasNumber
72653-14-6
MolecularFormula
C12H18O7
MolecularWeight
274.2671
MdlNumber
MFCD00052373
Smiles
CCOC(=O)C(C(=O)C)(CCC(=O)O)CCC(=O)O
Complexity
354
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
10
Xlogp3
-0.1
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CatalogNumber: AC66993
ChemicalName: 4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid
CasNumber: 72653-14-6
MolecularFormula: C12H18O7
MolecularWeight: 274.2671
MdlNumber: MFCD00052373
Smiles: CCOC(=O)C(C(=O)C)(CCC(=O)O)CCC(=O)O
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 10
Xlogp3: -0.1
CatalogNumber:
AC66993
ChemicalName:
4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid
CasNumber:
72653-14-6
MolecularFormula:
C12H18O7
MolecularWeight:
274.2671
MdlNumber:
MFCD00052373
Smiles:
CCOC(=O)C(C(=O)C)(CCC(=O)O)CCC(=O)O
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
10
Xlogp3:
-0.1
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Smiles: O=C(C(Cl)(Cl)Cl)c1[nH]cc(c1)C(=O)C
Complexity: __
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Smiles:
O=C(C(Cl)(Cl)Cl)c1[nH]cc(c1)C(=O)C
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Smiles: CCC(=O)O.OCCC(=C)CCCC(=C)C
Complexity: __
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Smiles:
CCC(=O)O.OCCC(=C)CCCC(=C)C
Complexity:
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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: Clc1ncc(nn1)c1ccccc1
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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:
Clc1ncc(nn1)c1ccccc1
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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Xlogp3:
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