AA20644
115509-13-2 | (-)-(3aR,6aR)-3a,6a-Dihydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-one
Manufacturer: A2B Chem
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CatalogNumber
AA20644
ChemicalName
(-)-(3aR,6aR)-3a,6a-Dihydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-one
CasNumber
115509-13-2
MolecularFormula
C8H10O3
MolecularWeight
154.1632
MdlNumber
MFCD08166479
Smiles
O=C1C=C[C@@H]2[C@H]1OC(O2)(C)C
Complexity
230
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
Xlogp3
0.4
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CatalogNumber: AA20644
ChemicalName: (-)-(3aR,6aR)-3a,6a-Dihydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-one
CasNumber: 115509-13-2
MolecularFormula: C8H10O3
MolecularWeight: 154.1632
MdlNumber: MFCD08166479
Smiles: O=C1C=C[C@@H]2[C@H]1OC(O2)(C)C
Complexity: 230
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
Xlogp3: 0.4
CatalogNumber:
AA20644
ChemicalName:
(-)-(3aR,6aR)-3a,6a-Dihydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-one
CasNumber:
115509-13-2
MolecularFormula:
C8H10O3
MolecularWeight:
154.1632
MdlNumber:
MFCD08166479
Smiles:
O=C1C=C[C@@H]2[C@H]1OC(O2)(C)C
Complexity:
230
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCSCC(=O)c1ccc(cc1)OC
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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Smiles:
CCSCC(=O)c1ccc(cc1)OC
Complexity:
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HeavyAtomCount:
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Smiles: CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]
Complexity: __
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HeavyAtomCount: __
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Smiles:
CCCCCCCCCCCCCC[n+]1ccccc1.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
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Smiles: O=C(N[C@H](C(=O)O)CCC(=O)O)OCc1ccccc1
Complexity: 351
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)CCC(=O)O)OCc1ccccc1
Complexity:
351
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
0.9