AB75769
13531-48-1 | Methyl 3-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75769
ChemicalName
Methyl 3-cyanobenzoate
CasNumber
13531-48-1
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD00220156
Smiles
COC(=O)c1cccc(c1)C#N
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB75769
ChemicalName: Methyl 3-cyanobenzoate
CasNumber: 13531-48-1
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00220156
Smiles: COC(=O)c1cccc(c1)C#N
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB75769
ChemicalName:
Methyl 3-cyanobenzoate
CasNumber:
13531-48-1
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00220156
Smiles:
COC(=O)c1cccc(c1)C#N
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCC#N
Complexity: 122
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCC#N
Complexity:
122
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CC=CC1
Complexity: 130
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CC=CC1
Complexity:
130
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: AB75772
ChemicalName: Methyl 3-cyclopropyl-3-oxopropanoate
CasNumber: 32249-35-7
MolecularFormula: C7H10O3
MolecularWeight: 142.1525
MdlNumber: MFCD00274090
Smiles: COC(=O)CC(=O)C1CC1
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AB75772
ChemicalName:
Methyl 3-cyclopropyl-3-oxopropanoate
CasNumber:
32249-35-7
MolecularFormula:
C7H10O3
MolecularWeight:
142.1525
MdlNumber:
MFCD00274090
Smiles:
COC(=O)CC(=O)C1CC1
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
0.4