AB63178
52116-81-1 | 3-(3-Cyanophenyl)-acrylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB63178
ChemicalName
3-(3-Cyanophenyl)-acrylic acid methyl ester
CasNumber
52116-81-1
MolecularFormula
C11H9NO2
MolecularWeight
187.1947
MdlNumber
MFCD08064268
Smiles
COC(=O)/C=C/c1cccc(c1)C#N
Complexity
274
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AB63178
ChemicalName: 3-(3-Cyanophenyl)-acrylic acid methyl ester
CasNumber: 52116-81-1
MolecularFormula: C11H9NO2
MolecularWeight: 187.1947
MdlNumber: MFCD08064268
Smiles: COC(=O)/C=C/c1cccc(c1)C#N
Complexity: 274
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB63178
ChemicalName:
3-(3-Cyanophenyl)-acrylic acid methyl ester
CasNumber:
52116-81-1
MolecularFormula:
C11H9NO2
MolecularWeight:
187.1947
MdlNumber:
MFCD08064268
Smiles:
COC(=O)/C=C/c1cccc(c1)C#N
Complexity:
274
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCNC1CC1
Complexity: 107
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCNC1CC1
Complexity:
107
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1F)C(=O)CCC(=O)O
Complexity: 267
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1F)C(=O)CCC(=O)O
Complexity:
267
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)/C=C/c1cccc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)/C=C/c1cccc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__