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AB72445

70681-41-3 | D-(+)-Malic acid dimethyl ester

Manufacturer: A2B Chem

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CatalogNumber

AB72445

ChemicalName

D-(+)-Malic acid dimethyl ester

CasNumber

70681-41-3

MolecularFormula

C6H10O5

MolecularWeight

162.1406

MdlNumber

MFCD00066216

Smiles

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

Complexity

153

Covalently-bondedUnitCount

1

DefinedAtomStereocenterCount

1

HeavyAtomCount

11

HydrogenBondAcceptorCount

5

HydrogenBondDonorCount

1

RotatableBondCount

5

Xlogp3

-0.7

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A2B Chem

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CatalogNumber:

AB72445

ChemicalName:

D-(+)-Malic acid dimethyl ester

CasNumber:

70681-41-3

MolecularFormula:

C6H10O5

MolecularWeight:

162.1406

MdlNumber:

MFCD00066216

Smiles:

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

Complexity:

153

Covalently-bondedUnitCount:

1

DefinedAtomStereocenterCount:

1

HeavyAtomCount:

11

HydrogenBondAcceptorCount:

5

HydrogenBondDonorCount:

1

RotatableBondCount:

5

Xlogp3:

-0.7

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)CO)[C@@H]([C@H]([C@@H]1O)O)O

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC[C@H]([C@H](c1c[nH]c2-c(n1)c(=O)nc(n2)N)O)O

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC[C@H]1OC(=O)[C@@H]([C@@H]1O)O

Complexity:

145

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

-1.4