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AB57278

3971-31-1 | 1,3-Cyclohexanedicarboxylic acid

Manufacturer: A2B Chem

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CatalogNumber

AB57278

ChemicalName

1,3-Cyclohexanedicarboxylic acid

CasNumber

3971-31-1

MolecularFormula

C8H12O4

MolecularWeight

172.1785

MdlNumber

MFCD00134411

Smiles

OC(=O)C1CCCC(C1)C(=O)O

Complexity

179

Covalently-bondedUnitCount

1

HeavyAtomCount

12

HydrogenBondAcceptorCount

4

HydrogenBondDonorCount

2

RotatableBondCount

2

UndefinedAtomStereocenterCount

2

Xlogp3

0.7

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A2B Chem

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CatalogNumber:

AB57278

ChemicalName:

1,3-Cyclohexanedicarboxylic acid

CasNumber:

3971-31-1

MolecularFormula:

C8H12O4

MolecularWeight:

172.1785

MdlNumber:

MFCD00134411

Smiles:

OC(=O)C1CCCC(C1)C(=O)O

Complexity:

179

Covalently-bondedUnitCount:

1

HeavyAtomCount:

12

HydrogenBondAcceptorCount:

4

HydrogenBondDonorCount:

2

RotatableBondCount:

2

UndefinedAtomStereocenterCount:

2

Xlogp3:

0.7

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

C1CCC=CC=CC1

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

Xlogp3:

MilliporeSigma

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

Xlogp3:

__

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC1CCC(C1)O

Complexity:

55.1

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

UndefinedAtomStereocenterCount:

Xlogp3:

-0.2