AB49535
21962-45-8 | 4-Cyano-2-methoxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB49535
ChemicalName
4-Cyano-2-methoxybenzaldehyde
CasNumber
21962-45-8
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD07779491
Smiles
COc1cc(C#N)ccc1C=O
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB49535
ChemicalName: 4-Cyano-2-methoxybenzaldehyde
CasNumber: 21962-45-8
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD07779491
Smiles: COc1cc(C#N)ccc1C=O
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB49535
ChemicalName:
4-Cyano-2-methoxybenzaldehyde
CasNumber:
21962-45-8
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD07779491
Smiles:
COc1cc(C#N)ccc1C=O
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(/C=C/c2ccccc2)cc(c1)OC
Complexity: 244
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(/C=C/c2ccccc2)cc(c1)OC
Complexity:
244
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCC(=O)O
Complexity: 118
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCC(=O)O
Complexity:
118
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__