AB72967
22398-14-7 | 1,3-Dimethyl 2-(methoxymethylidene)propanedioate
Manufacturer: A2B Chem
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CatalogNumber
AB72967
ChemicalName
1,3-Dimethyl 2-(methoxymethylidene)propanedioate
CasNumber
22398-14-7
MolecularFormula
C7H10O5
MolecularWeight
174.1513
MdlNumber
MFCD00038225
Smiles
COC=C(C(=O)OC)C(=O)OC
NscNumber
131266
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
0.4
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CatalogNumber: AB72967
ChemicalName: 1,3-Dimethyl 2-(methoxymethylidene)propanedioate
CasNumber: 22398-14-7
MolecularFormula: C7H10O5
MolecularWeight: 174.1513
MdlNumber: MFCD00038225
Smiles: COC=C(C(=O)OC)C(=O)OC
NscNumber: 131266
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 0.4
CatalogNumber:
AB72967
ChemicalName:
1,3-Dimethyl 2-(methoxymethylidene)propanedioate
CasNumber:
22398-14-7
MolecularFormula:
C7H10O5
MolecularWeight:
174.1513
MdlNumber:
MFCD00038225
Smiles:
COC=C(C(=O)OC)C(=O)OC
NscNumber:
131266
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
0.4
CatalogNumber: AB72968
ChemicalName: Dimethyl methylsuccinate
CasNumber: 1604-11-1
MolecularFormula: C7H12O4
MolecularWeight: 160.1678
MdlNumber: MFCD00008449
Smiles: COC(=O)CC(C(=O)OC)C
NscNumber: __
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 0.4
CatalogNumber:
AB72968
ChemicalName:
Dimethyl methylsuccinate
CasNumber:
1604-11-1
MolecularFormula:
C7H12O4
MolecularWeight:
160.1678
MdlNumber:
MFCD00008449
Smiles:
COC(=O)CC(C(=O)OC)C
NscNumber:
__
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)ccc(c2)C(=O)OC
NscNumber: __
Complexity: 294
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)ccc(c2)C(=O)OC
NscNumber:
__
Complexity:
294
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])C(=O)OC
NscNumber: __
Complexity: 323
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])C(=O)OC
NscNumber:
__
Complexity:
323
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6