AG29468
53005-44-0 | 2-Methoxy-6-methylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG29468
ChemicalName
2-Methoxy-6-methylbenzonitrile
CasNumber
53005-44-0
MolecularFormula
C9H9NO
MolecularWeight
147.1739
MdlNumber
MFCD10699539
Smiles
COc1cccc(c1C#N)C
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AG29468
ChemicalName: 2-Methoxy-6-methylbenzonitrile
CasNumber: 53005-44-0
MolecularFormula: C9H9NO
MolecularWeight: 147.1739
MdlNumber: MFCD10699539
Smiles: COc1cccc(c1C#N)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AG29468
ChemicalName:
2-Methoxy-6-methylbenzonitrile
CasNumber:
53005-44-0
MolecularFormula:
C9H9NO
MolecularWeight:
147.1739
MdlNumber:
MFCD10699539
Smiles:
COc1cccc(c1C#N)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccsn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccsn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCC(C1)C(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCC(C1)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG29471
ChemicalName: Methyl trans-4-formylcyclohexanecarboxylate
CasNumber: 54274-80-5
MolecularFormula: C9H14O3
MolecularWeight: 170.2057
MdlNumber: MFCD12965033
Smiles: COC(=O)[C@@H]1CC[C@H](CC1)C=O
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AG29471
ChemicalName:
Methyl trans-4-formylcyclohexanecarboxylate
CasNumber:
54274-80-5
MolecularFormula:
C9H14O3
MolecularWeight:
170.2057
MdlNumber:
MFCD12965033
Smiles:
COC(=O)[C@@H]1CC[C@H](CC1)C=O
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.8