AA29560
125-12-2 | 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate
Manufacturer: A2B Chem
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CatalogNumber
AA29560
ChemicalName
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate
CasNumber
125-12-2
MolecularFormula
C12H20O2
MolecularWeight
196.286
MdlNumber
MFCD00135943
Smiles
CC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C
Complexity
270
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AA29560
ChemicalName: 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate
CasNumber: 125-12-2
MolecularFormula: C12H20O2
MolecularWeight: 196.286
MdlNumber: MFCD00135943
Smiles: CC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C
Complexity: 270
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AA29560
ChemicalName:
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate
CasNumber:
125-12-2
MolecularFormula:
C12H20O2
MolecularWeight:
196.286
MdlNumber:
MFCD00135943
Smiles:
CC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C
Complexity:
270
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Complexity: 869
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.5
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Smiles:
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Complexity:
869
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
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Smiles: CCCNc1c(ccc(c1F)F)[N+](=O)[O-]
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Smiles:
CCCNc1c(ccc(c1F)F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
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__
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Smiles: Cc1cc(NC2CC2)nc(n1)Cl
Complexity: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1cc(NC2CC2)nc(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__