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AB63650

4043-88-3 | 3,4-Dehydro-L-proline

Manufacturer: A2B Chem

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CatalogNumber

AB63650

ChemicalName

3,4-Dehydro-L-proline

CasNumber

4043-88-3

MolecularFormula

C5H7NO2

MolecularWeight

113.11458

MdlNumber

MFCD00065964

Smiles

OC(=O)[C@H]1NCC=C1

Complexity

130

Covalently-bondedUnitCount

1

DefinedAtomStereocenterCount

1

HeavyAtomCount

8

HydrogenBondAcceptorCount

3

HydrogenBondDonorCount

2

RotatableBondCount

1

Xlogp3

-2.5

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A2B Chem

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CatalogNumber:

AB63650

ChemicalName:

3,4-Dehydro-L-proline

CasNumber:

4043-88-3

MolecularFormula:

C5H7NO2

MolecularWeight:

113.11458

MdlNumber:

MFCD00065964

Smiles:

OC(=O)[C@H]1NCC=C1

Complexity:

130

Covalently-bondedUnitCount:

1

DefinedAtomStereocenterCount:

1

HeavyAtomCount:

8

HydrogenBondAcceptorCount:

3

HydrogenBondDonorCount:

2

RotatableBondCount:

1

Xlogp3:

-2.5

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

O=Cc1ccc(c(c1)OC(=O)C)OC(=O)C

Complexity:

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC(=O)c1ccc(c(c1)N)N

Complexity:

161

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

0.2

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

Nc1cnccc1N

Complexity:

74.1

Covalently-bondedUnitCount:

DefinedAtomStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

-0.5