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AV18457

69804-82-6 | 4-Methylhexa-2,4-dienoic acid

Manufacturer: A2B Chem

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CatalogNumber

AV18457

ChemicalName

4-Methylhexa-2,4-dienoic acid

CasNumber

69804-82-6

MolecularFormula

C7H10O2

MolecularWeight

126.1531

MdlNumber

MFCD00017401

Smiles

CC(=CC)/C=C/C(=O)O

Complexity

154

Covalently-bondedUnitCount

1

DefinedBondStereocenterCount

2

HeavyAtomCount

9

HydrogenBondAcceptorCount

2

HydrogenBondDonorCount

1

RotatableBondCount

2

Xlogp3

1.9

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A2B Chem

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CatalogNumber:

AV18457

ChemicalName:

4-Methylhexa-2,4-dienoic acid

CasNumber:

69804-82-6

MolecularFormula:

C7H10O2

MolecularWeight:

126.1531

MdlNumber:

MFCD00017401

Smiles:

CC(=CC)/C=C/C(=O)O

Complexity:

154

Covalently-bondedUnitCount:

1

DefinedBondStereocenterCount:

2

HeavyAtomCount:

9

HydrogenBondAcceptorCount:

2

HydrogenBondDonorCount:

1

RotatableBondCount:

2

Xlogp3:

1.9

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC(=O)c1cc2cc[nH]c2cc1F

Complexity:

222

Covalently-bondedUnitCount:

DefinedBondStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

1.7

A2B Chem

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CatalogNumber:

AV18459

ChemicalName:

(S)-9-Bromo-1-methyl-3,5-dihydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-2(1H)-one

CasNumber:

1613722-23-8

MolecularFormula:

C11H10BrN3O2

MolecularWeight:

296.12

MdlNumber:

MFCD28991943

Smiles:

C[C@@H]1N2C(=NNC1=O)COc1c2cc(Br)cc1

Complexity:

374

Covalently-bondedUnitCount:

1

DefinedBondStereocenterCount:

HeavyAtomCount:

17

HydrogenBondAcceptorCount:

3

HydrogenBondDonorCount:

1

RotatableBondCount:

Xlogp3:

1.5

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

C#CCN1CCN(CC1)c1ncccn1

Complexity:

230

Covalently-bondedUnitCount:

DefinedBondStereocenterCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

0.6