AB73661
19386-06-2 | Ethyl 3-(1-adamantyl)-3-oxopropanoate
Manufacturer: A2B Chem
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CatalogNumber
AB73661
ChemicalName
Ethyl 3-(1-adamantyl)-3-oxopropanoate
CasNumber
19386-06-2
MolecularFormula
C15H22O3
MolecularWeight
250.3334
MdlNumber
MFCD00074741
Smiles
CCOC(=O)CC(=O)C12CC3CC(C2)CC(C1)C3
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
2.9
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CatalogNumber: AB73661
ChemicalName: Ethyl 3-(1-adamantyl)-3-oxopropanoate
CasNumber: 19386-06-2
MolecularFormula: C15H22O3
MolecularWeight: 250.3334
MdlNumber: MFCD00074741
Smiles: CCOC(=O)CC(=O)C12CC3CC(C2)CC(C1)C3
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AB73661
ChemicalName:
Ethyl 3-(1-adamantyl)-3-oxopropanoate
CasNumber:
19386-06-2
MolecularFormula:
C15H22O3
MolecularWeight:
250.3334
MdlNumber:
MFCD00074741
Smiles:
CCOC(=O)CC(=O)C12CC3CC(C2)CC(C1)C3
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.9
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Smiles: CCOC(=O)/C=C/c1cc(Br)cnc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)/C=C/c1cc(Br)cnc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C=C/c1cccnc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C=C/c1cccnc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C(=C/c1ccccc1Br)/C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C(=C/c1ccccc1Br)/C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__