AB75004

21210-43-5 | (S)-(+)-Methyl mandelate

Manufacturer: 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

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A2B Chem

AB75004

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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

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AB75005

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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:
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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
CCCCOC(=O)C(C(C(=O)OCCCC)O)O

Complexity:
__

Covalently-bondedUnitCount:
__

DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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AB75007

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CatalogNumber:
AB75007

ChemicalName:
(S)-1-Boc-piperidine-3-carboxylic acid

CasNumber:
88495-54-9

MolecularFormula:
C11H19NO4

MolecularWeight:
229.2729

MdlNumber:
MFCD02179172

Smiles:
OC(=O)[C@H]1CCCN(C1)C(=O)OC(C)(C)C

Complexity:
282

Covalently-bondedUnitCount:
1

DefinedAtomStereocenterCount:
1

HeavyAtomCount:
16

HydrogenBondAcceptorCount:
4

HydrogenBondDonorCount:
1

RotatableBondCount:
3

Xlogp3:
1.1