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AB75003

13704-09-1 | L-(+)-Mandelic acid ethyl ester

Manufacturer: A2B Chem

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CatalogNumber

AB75003

ChemicalName

L-(+)-Mandelic acid ethyl ester

CasNumber

13704-09-1

MolecularFormula

C10H12O3

MolecularWeight

180.2005

MdlNumber

MFCD00064249

Smiles

CCOC(=O)[C@H](c1ccccc1)O

Complexity

162

Covalently-bondedUnitCount

1

DefinedAtomStereocenterCount

1

HeavyAtomCount

13

HydrogenBondAcceptorCount

3

HydrogenBondDonorCount

1

RotatableBondCount

4

Xlogp3

1.5

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A2B Chem

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CatalogNumber:

AB75003

ChemicalName:

L-(+)-Mandelic acid ethyl ester

CasNumber:

13704-09-1

MolecularFormula:

C10H12O3

MolecularWeight:

180.2005

MdlNumber:

MFCD00064249

Smiles:

CCOC(=O)[C@H](c1ccccc1)O

Complexity:

162

Covalently-bondedUnitCount:

1

DefinedAtomStereocenterCount:

1

HeavyAtomCount:

13

HydrogenBondAcceptorCount:

3

HydrogenBondDonorCount:

1

RotatableBondCount:

4

Xlogp3:

1.5

A2B Chem

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CatalogNumber:

AB75004

ChemicalName:

(S)-(+)-Methyl mandelate

CasNumber:

21210-43-5

MolecularFormula:

C9H10O3

MolecularWeight:

166.1739

MdlNumber:

MFCD00064246

Smiles:

COC(=O)[C@H](c1ccccc1)O

Complexity:

150

Covalently-bondedUnitCount:

1

DefinedAtomStereocenterCount:

1

HeavyAtomCount:

12

HydrogenBondAcceptorCount:

3

HydrogenBondDonorCount:

1

RotatableBondCount:

3

Xlogp3:

1.2

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC(=O)CC[C@@H](C(=O)[O-])N.[Na+].O

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

CCCCOC(=O)C(C(C(=O)OCCCC)O)O

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3: