AB50221
34036-16-3 | 5-Methyl-3-oxo-hexanoic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB50221
ChemicalName
5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber
34036-16-3
MolecularFormula
C9H16O3
MolecularWeight
172.2215
MdlNumber
MFCD00086868
Smiles
CCOC(=O)CC(=O)CC(C)C
NscNumber
69069
Complexity
161
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
6
Xlogp3
1.5
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CatalogNumber: AB50221
ChemicalName: 5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber: 34036-16-3
MolecularFormula: C9H16O3
MolecularWeight: 172.2215
MdlNumber: MFCD00086868
Smiles: CCOC(=O)CC(=O)CC(C)C
NscNumber: 69069
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 1.5
CatalogNumber:
AB50221
ChemicalName:
5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber:
34036-16-3
MolecularFormula:
C9H16O3
MolecularWeight:
172.2215
MdlNumber:
MFCD00086868
Smiles:
CCOC(=O)CC(=O)CC(C)C
NscNumber:
69069
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
1.5
CatalogNumber: AB50222
ChemicalName: 2-Chloro-3-oxo-succinic acid diethyl ester
CasNumber: 34034-87-2
MolecularFormula: C8H11ClO5
MolecularWeight: 222.6229
MdlNumber: MFCD04114359
Smiles: CCOC(=O)C(=O)C(C(=O)OCC)Cl
NscNumber: __
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 1.5
CatalogNumber:
AB50222
ChemicalName:
2-Chloro-3-oxo-succinic acid diethyl ester
CasNumber:
34034-87-2
MolecularFormula:
C8H11ClO5
MolecularWeight:
222.6229
MdlNumber:
MFCD04114359
Smiles:
CCOC(=O)C(=O)C(C(=O)OCC)Cl
NscNumber:
__
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC1OC([S-])C(C(C1OC(=O)C)OC(=O)C)OC(=O)C.CCP(CC)CC.[Au+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC1OC([S-])C(C(C1OC(=O)C)OC(=O)C)OC(=O)C.CCP(CC)CC.[Au+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1NCCN(C1)C(=O)OC(C)(C)C
NscNumber: __
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1NCCN(C1)C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9