AB80059
2672-58-4 | Trimethyl 1,3,5-benzenetricarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB80059
ChemicalName
Trimethyl 1,3,5-benzenetricarboxylate
CasNumber
2672-58-4
MolecularFormula
C12H12O6
MolecularWeight
252.22008
MdlNumber
MFCD00008434
Smiles
COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC
NscNumber
61883
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
6
Xlogp3
1.5
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CatalogNumber: AB80059
ChemicalName: Trimethyl 1,3,5-benzenetricarboxylate
CasNumber: 2672-58-4
MolecularFormula: C12H12O6
MolecularWeight: 252.22008
MdlNumber: MFCD00008434
Smiles: COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC
NscNumber: 61883
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
Xlogp3: 1.5
CatalogNumber:
AB80059
ChemicalName:
Trimethyl 1,3,5-benzenetricarboxylate
CasNumber:
2672-58-4
MolecularFormula:
C12H12O6
MolecularWeight:
252.22008
MdlNumber:
MFCD00008434
Smiles:
COC(=O)c1cc(cc(c1)C(=O)OC)C(=O)OC
NscNumber:
61883
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
Xlogp3:
1.5
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Smiles: BrCCCC(OC)(OC)OC
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Smiles:
BrCCCC(OC)(OC)OC
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COC(=O)/C=C/CP(=O)(OC)OC
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=O)/C=C/CP(=O)(OC)OC
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: COC(=O)[C@@H]1C[C@@H](C[C@@H](C1)C(=O)OC)C(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1C[C@@H](C[C@@H](C1)C(=O)OC)C(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__