AB74465
1119-40-0 | Dimethyl glutarate
Manufacturer: A2B Chem
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CatalogNumber
AB74465
ChemicalName
Dimethyl glutarate
CasNumber
1119-40-0
MolecularFormula
C7H12O4
MolecularWeight
160.1678
MdlNumber
MFCD00008468
Smiles
COC(=O)CCCC(=O)OC
NscNumber
58578
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
0.6
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CatalogNumber: AB74465
ChemicalName: Dimethyl glutarate
CasNumber: 1119-40-0
MolecularFormula: C7H12O4
MolecularWeight: 160.1678
MdlNumber: MFCD00008468
Smiles: COC(=O)CCCC(=O)OC
NscNumber: 58578
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 0.6
CatalogNumber:
AB74465
ChemicalName:
Dimethyl glutarate
CasNumber:
1119-40-0
MolecularFormula:
C7H12O4
MolecularWeight:
160.1678
MdlNumber:
MFCD00008468
Smiles:
COC(=O)CCCC(=O)OC
NscNumber:
58578
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
0.6
CatalogNumber: AB74466
ChemicalName: Methyl 4-(chloroformyl)butyrate
CasNumber: 1501-26-4
MolecularFormula: C6H9ClO3
MolecularWeight: 164.5869
MdlNumber: MFCD00000756
Smiles: COC(=O)CCCC(=O)Cl
NscNumber: 93892
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AB74466
ChemicalName:
Methyl 4-(chloroformyl)butyrate
CasNumber:
1501-26-4
MolecularFormula:
C6H9ClO3
MolecularWeight:
164.5869
MdlNumber:
MFCD00000756
Smiles:
COC(=O)CCCC(=O)Cl
NscNumber:
93892
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.3
CatalogNumber: AB74467
ChemicalName: Glutaric acid disodium salt
CasNumber: 13521-83-0
MolecularFormula: C5H6Na2O4
MolecularWeight: 176.0783
MdlNumber: MFCD00070497
Smiles: C(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
NscNumber: __
Complexity: 93.1
Covalently-bondedUnitCount: 3
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB74467
ChemicalName:
Glutaric acid disodium salt
CasNumber:
13521-83-0
MolecularFormula:
C5H6Na2O4
MolecularWeight:
176.0783
MdlNumber:
MFCD00070497
Smiles:
C(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
NscNumber:
__
Complexity:
93.1
Covalently-bondedUnitCount:
3
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCC(=O)N1
NscNumber: __
Complexity: 116
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCC(=O)N1
NscNumber:
__
Complexity:
116
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.7