AI54627
66323-03-3 | Dimethyl 4,5-dihydroxyphthalate
Manufacturer: A2B Chem
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CatalogNumber
AI54627
ChemicalName
Dimethyl 4,5-dihydroxyphthalate
CasNumber
66323-03-3
MolecularFormula
C10H10O6
MolecularWeight
226.1828
MdlNumber
MFCD20265697
Smiles
COC(=O)c1cc(O)c(cc1C(=O)OC)O
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AI54627
ChemicalName: Dimethyl 4,5-dihydroxyphthalate
CasNumber: 66323-03-3
MolecularFormula: C10H10O6
MolecularWeight: 226.1828
MdlNumber: MFCD20265697
Smiles: COC(=O)c1cc(O)c(cc1C(=O)OC)O
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AI54627
ChemicalName:
Dimethyl 4,5-dihydroxyphthalate
CasNumber:
66323-03-3
MolecularFormula:
C10H10O6
MolecularWeight:
226.1828
MdlNumber:
MFCD20265697
Smiles:
COC(=O)c1cc(O)c(cc1C(=O)OC)O
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.9
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Smiles: C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)N=[N+]=[N-]
Complexity: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)N=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: NCC(=O)N[C@H](C(=O)OC)C(C)C
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Smiles:
NCC(=O)N[C@H](C(=O)OC)C(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: O/N=C(/c1csc(n1)N)\C(=O)O
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O/N=C(/c1csc(n1)N)\C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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