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AB54640

24047-72-1 | (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone

Manufacturer: A2B Chem

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CatalogNumber

AB54640

ChemicalName

(1R,2R,5R)-(+)-2-Hydroxy-3-pinanone

CasNumber

24047-72-1

MolecularFormula

C10H16O2

MolecularWeight

168.2328

MdlNumber

MFCD00191522

Smiles

O=C1C[C@H]2C[C@@H]([C@@]1(C)O)C2(C)C

Complexity

244

Covalently-bondedUnitCount

1

DefinedAtomStereocenterCount

3

HeavyAtomCount

12

HydrogenBondAcceptorCount

2

HydrogenBondDonorCount

1

Xlogp3

1.2

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A2B Chem

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CatalogNumber:

AB54640

ChemicalName:

(1R,2R,5R)-(+)-2-Hydroxy-3-pinanone

CasNumber:

24047-72-1

MolecularFormula:

C10H16O2

MolecularWeight:

168.2328

MdlNumber:

MFCD00191522

Smiles:

O=C1C[C@H]2C[C@@H]([C@@]1(C)O)C2(C)C

Complexity:

244

Covalently-bondedUnitCount:

1

DefinedAtomStereocenterCount:

3

HeavyAtomCount:

12

HydrogenBondAcceptorCount:

2

HydrogenBondDonorCount:

1

Xlogp3:

1.2

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

Xlogp3:

A2B Chem

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CatalogNumber:

AB54642

ChemicalName:

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanaminium (2r)-hydroxy(phenyl)ethanoate

CasNumber:

376608-71-8

MolecularFormula:

C17H17F2NO3

MolecularWeight:

321.31858639999996

MdlNumber:

MFCD21362980

Smiles:

O[C@H](c1ccccc1)C(=O)[O-].Fc1ccc(cc1F)[C@@H]1C[C@H]1[NH3+]

Complexity:

312

Covalently-bondedUnitCount:

2

DefinedAtomStereocenterCount:

3

HeavyAtomCount:

23

HydrogenBondAcceptorCount:

6

HydrogenBondDonorCount:

3

Xlogp3:

__

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

Cc1cc(C)c(c(c1)C)S(=O)(=O)N([C@H]([C@@H](c1ccccc1)O)C)Cc1ccccc1

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

Xlogp3:

__