AI50634
4535-96-0 | Methyl 1-phenylcyclopentane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI50634
ChemicalName
Methyl 1-phenylcyclopentane-1-carboxylate
CasNumber
4535-96-0
MolecularFormula
C13H16O2
MolecularWeight
204.2649
MdlNumber
MFCD12031849
Smiles
COC(=O)C1(CCCC1)c1ccccc1
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AI50634
ChemicalName: Methyl 1-phenylcyclopentane-1-carboxylate
CasNumber: 4535-96-0
MolecularFormula: C13H16O2
MolecularWeight: 204.2649
MdlNumber: MFCD12031849
Smiles: COC(=O)C1(CCCC1)c1ccccc1
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AI50634
ChemicalName:
Methyl 1-phenylcyclopentane-1-carboxylate
CasNumber:
4535-96-0
MolecularFormula:
C13H16O2
MolecularWeight:
204.2649
MdlNumber:
MFCD12031849
Smiles:
COC(=O)C1(CCCC1)c1ccccc1
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)OCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)OCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI50636
ChemicalName: 3'-Trifluoromethylacetophenone semicarbazone
CasNumber: 454-05-7
MolecularFormula: C10H10F3N3O
MolecularWeight: 245.2011
MdlNumber: MFCD17588465
Smiles: NC(=O)N/N=C(/c1cccc(c1)C(F)(F)F)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AI50636
ChemicalName:
3'-Trifluoromethylacetophenone semicarbazone
CasNumber:
454-05-7
MolecularFormula:
C10H10F3N3O
MolecularWeight:
245.2011
MdlNumber:
MFCD17588465
Smiles:
NC(=O)N/N=C(/c1cccc(c1)C(F)(F)F)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)[C@@H](c1ccccc1)N1CCNCC1.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)[C@@H](c1ccccc1)N1CCNCC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__