AB72938
3304-70-9 | Dimethyl 4,5-imidazoledicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB72938
ChemicalName
Dimethyl 4,5-imidazoledicarboxylate
CasNumber
3304-70-9
MolecularFormula
C7H8N2O4
MolecularWeight
184.14941999999996
MdlNumber
MFCD00051338
Smiles
COC(=O)c1[nH]cnc1C(=O)OC
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.4
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CatalogNumber: AB72938
ChemicalName: Dimethyl 4,5-imidazoledicarboxylate
CasNumber: 3304-70-9
MolecularFormula: C7H8N2O4
MolecularWeight: 184.14941999999996
MdlNumber: MFCD00051338
Smiles: COC(=O)c1[nH]cnc1C(=O)OC
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AB72938
ChemicalName:
Dimethyl 4,5-imidazoledicarboxylate
CasNumber:
3304-70-9
MolecularFormula:
C7H8N2O4
MolecularWeight:
184.14941999999996
MdlNumber:
MFCD00051338
Smiles:
COC(=O)c1[nH]cnc1C(=O)OC
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(ccc1OC(=O)C)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(ccc1OC(=O)C)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(N)csc1C(=O)OC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(N)csc1C(=O)OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB72941
ChemicalName: Dimethyl 4-hydroxyisophthalate
CasNumber: 5985-24-0
MolecularFormula: C10H10O5
MolecularWeight: 210.1834
MdlNumber: MFCD00152444
Smiles: COC(=O)c1ccc(c(c1)C(=O)OC)O
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AB72941
ChemicalName:
Dimethyl 4-hydroxyisophthalate
CasNumber:
5985-24-0
MolecularFormula:
C10H10O5
MolecularWeight:
210.1834
MdlNumber:
MFCD00152444
Smiles:
COC(=O)c1ccc(c(c1)C(=O)OC)O
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.2