AB45432
52986-70-6 | 6-Methoxyisoquinoline
Manufacturer: A2B Chem
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CatalogNumber
AB45432
ChemicalName
6-Methoxyisoquinoline
CasNumber
52986-70-6
MolecularFormula
C10H9NO
MolecularWeight
159.1846
MdlNumber
MFCD04114861
Smiles
COc1ccc2c(c1)ccnc2
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AB45432
ChemicalName: 6-Methoxyisoquinoline
CasNumber: 52986-70-6
MolecularFormula: C10H9NO
MolecularWeight: 159.1846
MdlNumber: MFCD04114861
Smiles: COc1ccc2c(c1)ccnc2
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB45432
ChemicalName:
6-Methoxyisoquinoline
CasNumber:
52986-70-6
MolecularFormula:
C10H9NO
MolecularWeight:
159.1846
MdlNumber:
MFCD04114861
Smiles:
COc1ccc2c(c1)ccnc2
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)cccn2
Complexity: 149
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)cccn2
Complexity:
149
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AB45434
ChemicalName: 6-Methylindolin-2-one
CasNumber: 56341-38-9
MolecularFormula: C9H9NO
MolecularWeight: 147.1739
MdlNumber: MFCD08457972
Smiles: O=C1Cc2c(N1)cc(cc2)C
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AB45434
ChemicalName:
6-Methylindolin-2-one
CasNumber:
56341-38-9
MolecularFormula:
C9H9NO
MolecularWeight:
147.1739
MdlNumber:
MFCD08457972
Smiles:
O=C1Cc2c(N1)cc(cc2)C
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(O)nc(n1)S
Complexity: 197
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(O)nc(n1)S
Complexity:
197
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2