AI54260
63968-64-9 | (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-one
Manufacturer: A2B Chem
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CatalogNumber
AI54260
ChemicalName
(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-one
CasNumber
63968-64-9
MolecularFormula
C15H22O5
MolecularWeight
282.3322
MdlNumber
MFCD11933489
Smiles
O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
NscNumber
758216
Complexity
452
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
7
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
Xlogp3
2.8
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CatalogNumber: AI54260
ChemicalName: (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-one
CasNumber: 63968-64-9
MolecularFormula: C15H22O5
MolecularWeight: 282.3322
MdlNumber: MFCD11933489
Smiles: O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
NscNumber: 758216
Complexity: 452
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 7
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
Xlogp3: 2.8
CatalogNumber:
AI54260
ChemicalName:
(1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecan-10-one
CasNumber:
63968-64-9
MolecularFormula:
C15H22O5
MolecularWeight:
282.3322
MdlNumber:
MFCD11933489
Smiles:
O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
NscNumber:
758216
Complexity:
452
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
7
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1ccccc1CO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1ccccc1CO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AI54262
ChemicalName: (1-Methyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-5-yl)methanol
CasNumber: 639784-65-9
MolecularFormula: C12H11F3N2O
MolecularWeight: 256.2237
MdlNumber: MFCD17926173
Smiles: OCc1cc(nn1C)c1ccc(cc1)C(F)(F)F
NscNumber: __
Complexity: 277
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
Xlogp3: 1.9
CatalogNumber:
AI54262
ChemicalName:
(1-Methyl-3-(4-(trifluoromethyl)phenyl)-1h-pyrazol-5-yl)methanol
CasNumber:
639784-65-9
MolecularFormula:
C12H11F3N2O
MolecularWeight:
256.2237
MdlNumber:
MFCD17926173
Smiles:
OCc1cc(nn1C)c1ccc(cc1)C(F)(F)F
NscNumber:
__
Complexity:
277
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCCC(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCCC(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__