AD48910
3213-49-8 | Ethyl alfa-cyanoisovalerate
Manufacturer: A2B Chem
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CatalogNumber
AD48910
ChemicalName
Ethyl alfa-cyanoisovalerate
CasNumber
3213-49-8
MolecularFormula
C8H13NO2
MolecularWeight
155.1943
MdlNumber
MFCD02258612
Smiles
CCOC(=O)C(C(C)C)C#N
NscNumber
79188
Complexity
178
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AD48910
ChemicalName: Ethyl alfa-cyanoisovalerate
CasNumber: 3213-49-8
MolecularFormula: C8H13NO2
MolecularWeight: 155.1943
MdlNumber: MFCD02258612
Smiles: CCOC(=O)C(C(C)C)C#N
NscNumber: 79188
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AD48910
ChemicalName:
Ethyl alfa-cyanoisovalerate
CasNumber:
3213-49-8
MolecularFormula:
C8H13NO2
MolecularWeight:
155.1943
MdlNumber:
MFCD02258612
Smiles:
CCOC(=O)C(C(C)C)C#N
NscNumber:
79188
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(c1cc(F)cc(c1)F)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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Smiles:
CC(c1cc(F)cc(c1)F)N
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: O=C=Nc1ccc(s1)c1ccccc1
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C=Nc1ccc(s1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(no1)N=C=S
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(no1)N=C=S
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__