AC65897
6731-58-4 | Ethyl 2-cyano-3-phenylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AC65897
ChemicalName
Ethyl 2-cyano-3-phenylpropanoate
CasNumber
6731-58-4
MolecularFormula
C12H13NO2
MolecularWeight
203.2371
MdlNumber
MFCD00067883
Smiles
CCOC(=O)C(Cc1ccccc1)C#N
NscNumber
20717
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AC65897
ChemicalName: Ethyl 2-cyano-3-phenylpropanoate
CasNumber: 6731-58-4
MolecularFormula: C12H13NO2
MolecularWeight: 203.2371
MdlNumber: MFCD00067883
Smiles: CCOC(=O)C(Cc1ccccc1)C#N
NscNumber: 20717
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AC65897
ChemicalName:
Ethyl 2-cyano-3-phenylpropanoate
CasNumber:
6731-58-4
MolecularFormula:
C12H13NO2
MolecularWeight:
203.2371
MdlNumber:
MFCD00067883
Smiles:
CCOC(=O)C(Cc1ccccc1)C#N
NscNumber:
20717
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
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Smiles: CC(=O)OC[C@H]1OC=C[C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Smiles:
CC(=O)OC[C@H]1OC=C[C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: OC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: SCCNC(=O)CC
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Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
SCCNC(=O)CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__