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AB49384

597-31-9 | 3-Hydroxy-2,2-dimethylpropanal

Manufacturer: A2B Chem

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CatalogNumber

AB49384

ChemicalName

3-Hydroxy-2,2-dimethylpropanal

CasNumber

597-31-9

MolecularFormula

C5H10O2

MolecularWeight

102.1317

MdlNumber

MFCD00006963

Smiles

OCC(C=O)(C)C

NscNumber

91821

Complexity

66.5

Covalently-bondedUnitCount

1

HeavyAtomCount

7

HydrogenBondAcceptorCount

2

HydrogenBondDonorCount

1

RotatableBondCount

2

Xlogp3

-0.1

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A2B Chem

--

CatalogNumber:

AB49384

ChemicalName:

3-Hydroxy-2,2-dimethylpropanal

CasNumber:

597-31-9

MolecularFormula:

C5H10O2

MolecularWeight:

102.1317

MdlNumber:

MFCD00006963

Smiles:

OCC(C=O)(C)C

NscNumber:

91821

Complexity:

66.5

Covalently-bondedUnitCount:

1

HeavyAtomCount:

7

HydrogenBondAcceptorCount:

2

HydrogenBondDonorCount:

1

RotatableBondCount:

2

Xlogp3:

-0.1

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

Brc1cccc(c1N)Br

NscNumber:

Complexity:

87.1

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

2.6

A2B Chem

--

CatalogNumber:

AB49386

ChemicalName:

5-Carboxyphthalide

CasNumber:

4792-29-4

MolecularFormula:

C9H6O4

MolecularWeight:

178.1415

MdlNumber:

MFCD04117971

Smiles:

OC(=O)c1ccc2c(c1)COC2=O

NscNumber:

__

Complexity:

248

Covalently-bondedUnitCount:

1

HeavyAtomCount:

13

HydrogenBondAcceptorCount:

4

HydrogenBondDonorCount:

1

RotatableBondCount:

1

Xlogp3:

0.3

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OCCOCCOCCOCCOCCO

NscNumber:

Complexity:

108

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

-1.7