AF28329
21339-47-9 | Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF28329
ChemicalName
Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
CasNumber
21339-47-9
MolecularFormula
C13H24O6
MolecularWeight
276.3261
MdlNumber
MFCD00671525
Smiles
CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
NscNumber
170303
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
RotatableBondCount
12
Xlogp3
1.9
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CatalogNumber: AF28329
ChemicalName: Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
CasNumber: 21339-47-9
MolecularFormula: C13H24O6
MolecularWeight: 276.3261
MdlNumber: MFCD00671525
Smiles: CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
NscNumber: 170303
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
RotatableBondCount: 12
Xlogp3: 1.9
CatalogNumber:
AF28329
ChemicalName:
Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
CasNumber:
21339-47-9
MolecularFormula:
C13H24O6
MolecularWeight:
276.3261
MdlNumber:
MFCD00671525
Smiles:
CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
NscNumber:
170303
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
RotatableBondCount:
12
Xlogp3:
1.9
CatalogNumber: __
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MolecularFormula: __
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Smiles: COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C
NscNumber: __
Complexity: __
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Smiles:
COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C
NscNumber:
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MolecularFormula: __
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Smiles: OB(CCSCC(C(=O)O)N)O.Cl
NscNumber: __
Complexity: 145
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(CCSCC(C(=O)O)N)O.Cl
NscNumber:
__
Complexity:
145
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)CO)(C)C
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:
CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)CO)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__