AB62492
614-13-1 | 2-Methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AB62492
ChemicalName
2-Methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CasNumber
614-13-1
MolecularFormula
C8H8O3
MolecularWeight
152.1473
MdlNumber
MFCD00034660
Smiles
COC1=CC(=O)C(=CC1=O)C
NscNumber
3071
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AB62492
ChemicalName: 2-Methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CasNumber: 614-13-1
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD00034660
Smiles: COC1=CC(=O)C(=CC1=O)C
NscNumber: 3071
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB62492
ChemicalName:
2-Methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CasNumber:
614-13-1
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD00034660
Smiles:
COC1=CC(=O)C(=CC1=O)C
NscNumber:
3071
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AB62493
ChemicalName: 2-Methoxy-5-methylbenzonitrile
CasNumber: 53078-70-9
MolecularFormula: C9H9NO
MolecularWeight: 147.1739
MdlNumber: MFCD03425693
Smiles: N#Cc1cc(C)ccc1OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB62493
ChemicalName:
2-Methoxy-5-methylbenzonitrile
CasNumber:
53078-70-9
MolecularFormula:
C9H9NO
MolecularWeight:
147.1739
MdlNumber:
MFCD03425693
Smiles:
N#Cc1cc(C)ccc1OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1c1cccc(c1)C(=O)O)C
NscNumber: __
Complexity: 290
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1c1cccc(c1)C(=O)O)C
NscNumber:
__
Complexity:
290
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C=Nc1cc(C)ccc1OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C=Nc1cc(C)ccc1OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__