AB45178
52605-99-9 | 5,6-Dimethoxynicotinaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB45178
ChemicalName
5,6-Dimethoxynicotinaldehyde
CasNumber
52605-99-9
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD11857649
Smiles
COc1cc(C=O)cnc1OC
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AB45178
ChemicalName: 5,6-Dimethoxynicotinaldehyde
CasNumber: 52605-99-9
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD11857649
Smiles: COc1cc(C=O)cnc1OC
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AB45178
ChemicalName:
5,6-Dimethoxynicotinaldehyde
CasNumber:
52605-99-9
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD11857649
Smiles:
COc1cc(C=O)cnc1OC
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc2[nH]cnc2cc1C
Complexity: 147
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc2[nH]cnc2cc1C
Complexity:
147
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1cc(I)c2c(c1O)nccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1cc(I)c2c(c1O)nccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45181
ChemicalName: 5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate
CasNumber: 239463-85-5
MolecularFormula: C26H31N3O8
MolecularWeight: 513.5396
MdlNumber: MFCD16038449
Smiles: O[C@H]([C@H](C(=O)O)O)C(=O)O.N#Cc1cc(C[C@H](N)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Complexity: 671
Covalently-bondedUnitCount: 2
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 11
RotatableBondCount: 11
Xlogp3: __
CatalogNumber:
AB45181
ChemicalName:
5-[(2R)-2-Aminopropyl]-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile (2r,3r)-2,3-dihydroxybutanedioate
CasNumber:
239463-85-5
MolecularFormula:
C26H31N3O8
MolecularWeight:
513.5396
MdlNumber:
MFCD16038449
Smiles:
O[C@H]([C@H](C(=O)O)O)C(=O)O.N#Cc1cc(C[C@H](N)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Complexity:
671
Covalently-bondedUnitCount:
2
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
11
RotatableBondCount:
11
Xlogp3:
__