AA79214

1572-99-2 | Ethyl 2-cyanopropanoate

Manufacturer: A2B Chem

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CatalogNumber

AA79214

ChemicalName

Ethyl 2-cyanopropanoate

CasNumber

1572-99-2

MolecularFormula

C6H9NO2

MolecularWeight

127.1412

MdlNumber

MFCD00013812

Smiles

CC(C(=O)OCC)C#N

NscNumber

68508

Complexity

144

Covalently-bondedUnitCount

1

HeavyAtomCount

9

HydrogenBondAcceptorCount

3

RotatableBondCount

3

UndefinedAtomStereocenterCount

1

Xlogp3

0.9

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A2B Chem

AA79214

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CatalogNumber:
AA79214

ChemicalName:
Ethyl 2-cyanopropanoate

CasNumber:
1572-99-2

MolecularFormula:
C6H9NO2

MolecularWeight:
127.1412

MdlNumber:
MFCD00013812

Smiles:
CC(C(=O)OCC)C#N

NscNumber:
68508

Complexity:
144

Covalently-bondedUnitCount:
1

HeavyAtomCount:
9

HydrogenBondAcceptorCount:
3

RotatableBondCount:
3

UndefinedAtomStereocenterCount:
1

Xlogp3:
0.9

Img

A2B Chem

AA79215

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CatalogNumber:
AA79215

ChemicalName:
Ethyl 2-cyano-2,2-dimethylacetate

CasNumber:
1572-98-1

MolecularFormula:
C7H11NO2

MolecularWeight:
141.1677

MdlNumber:
MFCD16484145

Smiles:
CCOC(=O)C(C#N)(C)C

NscNumber:
402029

Complexity:
175

Covalently-bondedUnitCount:
1

HeavyAtomCount:
10

HydrogenBondAcceptorCount:
3

RotatableBondCount:
3

UndefinedAtomStereocenterCount:
__

Xlogp3:
1.3

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A2B Chem

AA79216

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
COc1ccc(cc1)[C@@H](O)C

NscNumber:
__

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

RotatableBondCount:
__

UndefinedAtomStereocenterCount:
__

Xlogp3:
__

Img

A2B Chem

AA79217

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
C[C@H](C(C)(C)C)O

NscNumber:
__

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

RotatableBondCount:
__

UndefinedAtomStereocenterCount:
__

Xlogp3:
__