AB70586
2025-40-3 | Ethyl 2-cyano-3-phenylacrylate
Manufacturer: A2B Chem
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CatalogNumber
AB70586
ChemicalName
Ethyl 2-cyano-3-phenylacrylate
CasNumber
2025-40-3
MolecularFormula
C12H11NO2
MolecularWeight
201.2212
MdlNumber
MFCD00009137
Smiles
CCOC(=O)C(=Cc1ccccc1)C#N
Complexity
292
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AB70586
ChemicalName: Ethyl 2-cyano-3-phenylacrylate
CasNumber: 2025-40-3
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD00009137
Smiles: CCOC(=O)C(=Cc1ccccc1)C#N
Complexity: 292
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AB70586
ChemicalName:
Ethyl 2-cyano-3-phenylacrylate
CasNumber:
2025-40-3
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD00009137
Smiles:
CCOC(=O)C(=Cc1ccccc1)C#N
Complexity:
292
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: AB70587
ChemicalName: Alpha-cyclopentylmandelic acid
CasNumber: 427-49-6
MolecularFormula: C13H16O3
MolecularWeight: 220.2643
MdlNumber: MFCD00019296
Smiles: OC(=O)C(c1ccccc1)(C1CCCC1)O
Complexity: 252
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB70587
ChemicalName:
Alpha-cyclopentylmandelic acid
CasNumber:
427-49-6
MolecularFormula:
C13H16O3
MolecularWeight:
220.2643
MdlNumber:
MFCD00019296
Smiles:
OC(=O)C(c1ccccc1)(C1CCCC1)O
Complexity:
252
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@@H]([C@H]([C@@H]1O)O)O.[Na+].[Na+]
Complexity: 266
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@@H]([C@H]([C@@H]1O)O)O.[Na+].[Na+]
Complexity:
266
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__