AI55051
69225-59-8 | 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
Manufacturer: A2B Chem
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CatalogNumber
AI55051
ChemicalName
3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
CasNumber
69225-59-8
MolecularFormula
C11H18O3
MolecularWeight
198.2588
MdlNumber
MFCD00006652
Smiles
O=C1CCC2(CC1)OCC(CO2)(C)C
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
Xlogp3
1
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CatalogNumber: AI55051
ChemicalName: 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
CasNumber: 69225-59-8
MolecularFormula: C11H18O3
MolecularWeight: 198.2588
MdlNumber: MFCD00006652
Smiles: O=C1CCC2(CC1)OCC(CO2)(C)C
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
Xlogp3: 1
CatalogNumber:
AI55051
ChemicalName:
3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
CasNumber:
69225-59-8
MolecularFormula:
C11H18O3
MolecularWeight:
198.2588
MdlNumber:
MFCD00006652
Smiles:
O=C1CCC2(CC1)OCC(CO2)(C)C
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
Xlogp3:
1
CatalogNumber: AI55052
ChemicalName: Glycylglycyl-l-isoleucine
CasNumber: 69242-40-6
MolecularFormula: C10H19N3O4
MolecularWeight: 245.2756
MdlNumber: MFCD00047934
Smiles: NCC(=O)NCC(=O)NC(C(CC)C)C(=O)O
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
Xlogp3: -3
CatalogNumber:
AI55052
ChemicalName:
Glycylglycyl-l-isoleucine
CasNumber:
69242-40-6
MolecularFormula:
C10H19N3O4
MolecularWeight:
245.2756
MdlNumber:
MFCD00047934
Smiles:
NCC(=O)NCC(=O)NC(C(CC)C)C(=O)O
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
Xlogp3:
-3
CatalogNumber: __
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Smiles: Oc1ccc(cc1)C(=O)Nc1cc(C)ccc1C
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Smiles:
Oc1ccc(cc1)C(=O)Nc1cc(C)ccc1C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: COc1c(Cl)cccc1C(=O)N
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1c(Cl)cccc1C(=O)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
Xlogp3:
__