AI49735
39815-78-6 | Methyl 3-oxoheptanoate
Manufacturer: A2B Chem
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CatalogNumber
AI49735
ChemicalName
Methyl 3-oxoheptanoate
CasNumber
39815-78-6
MolecularFormula
C8H14O3
MolecularWeight
158.195
MdlNumber
MFCD00191568
Smiles
CCCCC(=O)CC(=O)OC
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
6
Xlogp3
1.3
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CatalogNumber: AI49735
ChemicalName: Methyl 3-oxoheptanoate
CasNumber: 39815-78-6
MolecularFormula: C8H14O3
MolecularWeight: 158.195
MdlNumber: MFCD00191568
Smiles: CCCCC(=O)CC(=O)OC
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 1.3
CatalogNumber:
AI49735
ChemicalName:
Methyl 3-oxoheptanoate
CasNumber:
39815-78-6
MolecularFormula:
C8H14O3
MolecularWeight:
158.195
MdlNumber:
MFCD00191568
Smiles:
CCCCC(=O)CC(=O)OC
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1ccc2c(c1)OC(O2)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1ccc2c(c1)OC(O2)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1coc(n1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1coc(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI49738
ChemicalName: 6-Chloro-9-[2,3-O-(1-methylethylidene)-beta-D-ribofuranosyl]-9H-Purine
CasNumber: 39824-26-5
MolecularFormula: C13H15ClN4O4
MolecularWeight: 326.7356
MdlNumber: MFCD03788833
Smiles: OC[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1ncnc2Cl
Complexity: 442
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AI49738
ChemicalName:
6-Chloro-9-[2,3-O-(1-methylethylidene)-beta-D-ribofuranosyl]-9H-Purine
CasNumber:
39824-26-5
MolecularFormula:
C13H15ClN4O4
MolecularWeight:
326.7356
MdlNumber:
MFCD03788833
Smiles:
OC[C@H]1O[C@H]([C@H]2[C@@H]1OC(O2)(C)C)n1cnc2c1ncnc2Cl
Complexity:
442
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
0.4