AI45320
223567-59-7 | (E)-Ethyl 3-(2-cyanophenyl)acrylate
Manufacturer: A2B Chem
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CatalogNumber
AI45320
ChemicalName
(E)-Ethyl 3-(2-cyanophenyl)acrylate
CasNumber
223567-59-7
MolecularFormula
C12H11NO2
MolecularWeight
201.2212
MdlNumber
MFCD22412826
Smiles
CCOC(=O)/C=C/c1ccccc1C#N
Complexity
287
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AI45320
ChemicalName: (E)-Ethyl 3-(2-cyanophenyl)acrylate
CasNumber: 223567-59-7
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD22412826
Smiles: CCOC(=O)/C=C/c1ccccc1C#N
Complexity: 287
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AI45320
ChemicalName:
(E)-Ethyl 3-(2-cyanophenyl)acrylate
CasNumber:
223567-59-7
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD22412826
Smiles:
CCOC(=O)/C=C/c1ccccc1C#N
Complexity:
287
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.3
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Smiles: [N-]=[N+]=Nc1ccc(cc1)CCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
Complexity: __
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Smiles:
[N-]=[N+]=Nc1ccc(cc1)CCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O
Complexity:
__
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Smiles: O=Cc1ccccc1c1ccc(c(c1)F)Cl
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Smiles:
O=Cc1ccccc1c1ccc(c(c1)F)Cl
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1CN([C@@H](C1)C(=O)O)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1CN([C@@H](C1)C(=O)O)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__