AD80714
103261-68-3 | Methyl 5-cyano-2-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD80714
ChemicalName
Methyl 5-cyano-2-methylbenzoate
CasNumber
103261-68-3
MolecularFormula
C10H9NO2
MolecularWeight
175.184
MdlNumber
MFCD18399111
Smiles
COC(=O)c1cc(C#N)ccc1C
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AD80714
ChemicalName: Methyl 5-cyano-2-methylbenzoate
CasNumber: 103261-68-3
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD18399111
Smiles: COC(=O)c1cc(C#N)ccc1C
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AD80714
ChemicalName:
Methyl 5-cyano-2-methylbenzoate
CasNumber:
103261-68-3
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD18399111
Smiles:
COC(=O)c1cc(C#N)ccc1C
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCOc1ccc(cc1Br)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CCOc1ccc(cc1Br)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Nc1cc(O)c(cc1O)N
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Smiles:
Nc1cc(O)c(cc1O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1cccc(c1)C(=O)N(C(C)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cccc(c1)C(=O)N(C(C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__