AB53672
470-17-7 | Isoalantolactone
Manufacturer: A2B Chem
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CatalogNumber
AB53672
ChemicalName
Isoalantolactone
CasNumber
470-17-7
MolecularFormula
C15H20O2
MolecularWeight
232.3181
MdlNumber
MFCD08689940
Smiles
O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)CCCC1=C
NscNumber
241036
Complexity
409
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
4
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
Xlogp3
3.4
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CatalogNumber: AB53672
ChemicalName: Isoalantolactone
CasNumber: 470-17-7
MolecularFormula: C15H20O2
MolecularWeight: 232.3181
MdlNumber: MFCD08689940
Smiles: O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)CCCC1=C
NscNumber: 241036
Complexity: 409
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
Xlogp3: 3.4
CatalogNumber:
AB53672
ChemicalName:
Isoalantolactone
CasNumber:
470-17-7
MolecularFormula:
C15H20O2
MolecularWeight:
232.3181
MdlNumber:
MFCD08689940
Smiles:
O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)CCCC1=C
NscNumber:
241036
Complexity:
409
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCCOCCCCOCCCCOCCCCO1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCCOCCCCOCCCCOCCCCO1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOCC(OCC(OCC(O)C)C)C
NscNumber: __
Complexity: 164
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOCC(OCC(OCC(O)C)C)C
NscNumber:
__
Complexity:
164
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCc1ccc(c(c1)C(C)(C)C)O
NscNumber: __
Complexity: 482
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 12.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCOC(=O)CCc1ccc(c(c1)C(C)(C)C)O
NscNumber:
__
Complexity:
482
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
12.2