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AI53728

616-25-1 | 1-Penten-3-ol

Manufacturer: A2B Chem

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CatalogNumber

AI53728

ChemicalName

1-Penten-3-ol

CasNumber

616-25-1

MolecularFormula

C5H10O

MolecularWeight

86.1323

MdlNumber

MFCD00004573

Smiles

CCC(C=C)O

NscNumber

65446

Complexity

41.2

Covalently-bondedUnitCount

1

HeavyAtomCount

6

HydrogenBondAcceptorCount

1

HydrogenBondDonorCount

1

RotatableBondCount

2

UndefinedAtomStereocenterCount

1

Xlogp3

1.1

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A2B Chem

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CatalogNumber:

AI53728

ChemicalName:

1-Penten-3-ol

CasNumber:

616-25-1

MolecularFormula:

C5H10O

MolecularWeight:

86.1323

MdlNumber:

MFCD00004573

Smiles:

CCC(C=C)O

NscNumber:

65446

Complexity:

41.2

Covalently-bondedUnitCount:

1

HeavyAtomCount:

6

HydrogenBondAcceptorCount:

1

HydrogenBondDonorCount:

1

RotatableBondCount:

2

UndefinedAtomStereocenterCount:

1

Xlogp3:

1.1

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

Cn1cncc1

NscNumber:

Complexity:

44.8

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

__

Xlogp3:

-0.1

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

[O-][N+](=O)c1cc(ccc1N)S(=O)(=O)O

NscNumber:

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

Xlogp3:

__

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2.OS(=O)(=O)O.O.O.O.O.O

NscNumber:

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

Xlogp3:

__