AA64832
1466-88-2 | 2-Nitrocinnamaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AA64832
ChemicalName
2-Nitrocinnamaldehyde
CasNumber
1466-88-2
MolecularFormula
C9H7NO3
MolecularWeight
177.1568
MdlNumber
MFCD00007188
Smiles
O=CC=Cc1ccccc1[N+](=O)[O-]
NscNumber
28458
Complexity
219
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AA64832
ChemicalName: 2-Nitrocinnamaldehyde
CasNumber: 1466-88-2
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD00007188
Smiles: O=CC=Cc1ccccc1[N+](=O)[O-]
NscNumber: 28458
Complexity: 219
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AA64832
ChemicalName:
2-Nitrocinnamaldehyde
CasNumber:
1466-88-2
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD00007188
Smiles:
O=CC=Cc1ccccc1[N+](=O)[O-]
NscNumber:
28458
Complexity:
219
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C[C@@H](C(=O)O)NC(=O)c1ccccc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C[C@@H](C(=O)O)NC(=O)c1ccccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1C(=O)O)OC
NscNumber: __
Complexity: 169
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1C(=O)O)OC
NscNumber:
__
Complexity:
169
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7