AB13197
19184-67-9 | 3,3-Dimethyl-pentanedioic acid dimethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB13197
ChemicalName
3,3-Dimethyl-pentanedioic acid dimethyl ester
CasNumber
19184-67-9
MolecularFormula
C9H16O4
MolecularWeight
188.2209
MdlNumber
MFCD00182435
Smiles
COC(=O)CC(CC(=O)OC)(C)C
NscNumber
99223
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
1.1
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CatalogNumber: AB13197
ChemicalName: 3,3-Dimethyl-pentanedioic acid dimethyl ester
CasNumber: 19184-67-9
MolecularFormula: C9H16O4
MolecularWeight: 188.2209
MdlNumber: MFCD00182435
Smiles: COC(=O)CC(CC(=O)OC)(C)C
NscNumber: 99223
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 1.1
CatalogNumber:
AB13197
ChemicalName:
3,3-Dimethyl-pentanedioic acid dimethyl ester
CasNumber:
19184-67-9
MolecularFormula:
C9H16O4
MolecularWeight:
188.2209
MdlNumber:
MFCD00182435
Smiles:
COC(=O)CC(CC(=O)OC)(C)C
NscNumber:
99223
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
1.1
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Smiles: OCC(CBr)(CO)CO
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
OCC(CBr)(CO)CO
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Smiles: CCCCCCCCCCCC[N+](CC)(C)C.[OH-]
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Smiles:
CCCCCCCCCCCC[N+](CC)(C)C.[OH-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: [O-]C(=O)CC.[O-]C(=O)CC.[O-]C(=O)CC.[O-]C(=O)CC.[Pb]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
[O-]C(=O)CC.[O-]C(=O)CC.[O-]C(=O)CC.[O-]C(=O)CC.[Pb]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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