AB72936
7250-55-7 | Dimethyl 3-hydroxyglutarate
Manufacturer: A2B Chem
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CatalogNumber
AB72936
ChemicalName
Dimethyl 3-hydroxyglutarate
CasNumber
7250-55-7
MolecularFormula
C7H12O5
MolecularWeight
176.1672
MdlNumber
MFCD00042841
Smiles
COC(=O)CC(CC(=O)OC)O
NscNumber
30047
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
-0.7
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CatalogNumber: AB72936
ChemicalName: Dimethyl 3-hydroxyglutarate
CasNumber: 7250-55-7
MolecularFormula: C7H12O5
MolecularWeight: 176.1672
MdlNumber: MFCD00042841
Smiles: COC(=O)CC(CC(=O)OC)O
NscNumber: 30047
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: -0.7
CatalogNumber:
AB72936
ChemicalName:
Dimethyl 3-hydroxyglutarate
CasNumber:
7250-55-7
MolecularFormula:
C7H12O5
MolecularWeight:
176.1672
MdlNumber:
MFCD00042841
Smiles:
COC(=O)CC(CC(=O)OC)O
NscNumber:
30047
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
-0.7
CatalogNumber: AB72937
ChemicalName: Dimethyl 3-nitrophthalate
CasNumber: 13365-26-9
MolecularFormula: C10H9NO6
MolecularWeight: 239.1816
MdlNumber: MFCD00017184
Smiles: COC(=O)c1cccc(c1C(=O)OC)[N+](=O)[O-]
NscNumber: 68806
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AB72937
ChemicalName:
Dimethyl 3-nitrophthalate
CasNumber:
13365-26-9
MolecularFormula:
C10H9NO6
MolecularWeight:
239.1816
MdlNumber:
MFCD00017184
Smiles:
COC(=O)c1cccc(c1C(=O)OC)[N+](=O)[O-]
NscNumber:
68806
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.4
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
NscNumber: __
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
NscNumber:
__
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
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(ccc1OC(=O)C)C(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__