AB42662
4649-09-6 | 1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB42662
ChemicalName
1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CasNumber
4649-09-6
MolecularFormula
C8H6N2O
MolecularWeight
146.14604
MdlNumber
MFCD03407363
Smiles
O=Cc1c[nH]c2c1cccn2
NscNumber
173969
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AB42662
ChemicalName: 1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CasNumber: 4649-09-6
MolecularFormula: C8H6N2O
MolecularWeight: 146.14604
MdlNumber: MFCD03407363
Smiles: O=Cc1c[nH]c2c1cccn2
NscNumber: 173969
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB42662
ChemicalName:
1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CasNumber:
4649-09-6
MolecularFormula:
C8H6N2O
MolecularWeight:
146.14604
MdlNumber:
MFCD03407363
Smiles:
O=Cc1c[nH]c2c1cccn2
NscNumber:
173969
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: AB42663
ChemicalName: 1-methylpyridin-2-one
CasNumber: 694-85-9
MolecularFormula: C6H7NO
MolecularWeight: 109.1259
MdlNumber: MFCD00006520
Smiles: O=c1ccccn1C
NscNumber: __
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
AB42663
ChemicalName:
1-methylpyridin-2-one
CasNumber:
694-85-9
MolecularFormula:
C6H7NO
MolecularWeight:
109.1259
MdlNumber:
MFCD00006520
Smiles:
O=c1ccccn1C
NscNumber:
__
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AB42664
ChemicalName: 1-Octen-3-one
CasNumber: 4312-99-6
MolecularFormula: C8H14O
MolecularWeight: 126.1962
MdlNumber: MFCD00036558
Smiles: CCCCCC(=O)C=C
NscNumber: __
Complexity: 94.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AB42664
ChemicalName:
1-Octen-3-one
CasNumber:
4312-99-6
MolecularFormula:
C8H14O
MolecularWeight:
126.1962
MdlNumber:
MFCD00036558
Smiles:
CCCCCC(=O)C=C
NscNumber:
__
Complexity:
94.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCn1cncc1
NscNumber: __
Complexity: 63.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCn1cncc1
NscNumber:
__
Complexity:
63.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8