AA73425
14533-86-9 | 2-Cyano-3-phenyl-acrylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA73425
ChemicalName
2-Cyano-3-phenyl-acrylic acid methyl ester
CasNumber
14533-86-9
MolecularFormula
C11H9NO2
MolecularWeight
187.1947
MdlNumber
MFCD00025864
Smiles
COC(=O)/C(=C/c1ccccc1)/C#N
Complexity
279
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AA73425
ChemicalName: 2-Cyano-3-phenyl-acrylic acid methyl ester
CasNumber: 14533-86-9
MolecularFormula: C11H9NO2
MolecularWeight: 187.1947
MdlNumber: MFCD00025864
Smiles: COC(=O)/C(=C/c1ccccc1)/C#N
Complexity: 279
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AA73425
ChemicalName:
2-Cyano-3-phenyl-acrylic acid methyl ester
CasNumber:
14533-86-9
MolecularFormula:
C11H9NO2
MolecularWeight:
187.1947
MdlNumber:
MFCD00025864
Smiles:
COC(=O)/C(=C/c1ccccc1)/C#N
Complexity:
279
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AA73426
ChemicalName: Pentafluorophenyl trifluoroacetate
CasNumber: 14533-84-7
MolecularFormula: C8F8O2
MolecularWeight: 280.0716255999999
MdlNumber: MFCD00134438
Smiles: O=C(C(F)(F)F)Oc1c(F)c(F)c(c(c1F)F)F
Complexity: 303
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 10
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AA73426
ChemicalName:
Pentafluorophenyl trifluoroacetate
CasNumber:
14533-84-7
MolecularFormula:
C8F8O2
MolecularWeight:
280.0716255999999
MdlNumber:
MFCD00134438
Smiles:
O=C(C(F)(F)F)Oc1c(F)c(F)c(c(c1F)F)F
Complexity:
303
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
10
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1cc(O)[nH]c(=O)c1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1cc(O)[nH]c(=O)c1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCS(=O)(=O)[O-].[Na+]
Complexity: 122
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCS(=O)(=O)[O-].[Na+]
Complexity:
122
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__