AI58742
87787-08-4 | Methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI58742
ChemicalName
Methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CasNumber
87787-08-4
MolecularFormula
C11H18O4
MolecularWeight
214.2582
MdlNumber
MFCD22681691
Smiles
COC(=O)C1(C)CCC2(CC1)OCCO2
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AI58742
ChemicalName: Methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CasNumber: 87787-08-4
MolecularFormula: C11H18O4
MolecularWeight: 214.2582
MdlNumber: MFCD22681691
Smiles: COC(=O)C1(C)CCC2(CC1)OCCO2
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AI58742
ChemicalName:
Methyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CasNumber:
87787-08-4
MolecularFormula:
C11H18O4
MolecularWeight:
214.2582
MdlNumber:
MFCD22681691
Smiles:
COC(=O)C1(C)CCC2(CC1)OCCO2
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.1
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Smiles: COC(=O)c1ccc(cc1)Oc1cccnc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)c1ccc(cc1)Oc1cccnc1
Complexity:
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__
HydrogenBondAcceptorCount:
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Smiles: CNCC(=O)N(CC)CC.Cl
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Smiles:
CNCC(=O)N(CC)CC.Cl
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RotatableBondCount:
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Smiles: CSc1nc2c(s1)c(Cl)nc(n2)Cl
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CSc1nc2c(s1)c(Cl)nc(n2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__