AB45427
106778-43-2 | Isoquinoline-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45427
ChemicalName
Isoquinoline-6-carboxylic acid
CasNumber
106778-43-2
MolecularFormula
C10H7NO2
MolecularWeight
173.1681
MdlNumber
MFCD09910323
Smiles
C1=CC2=C(C=CN=C2)C=C1C(=O)O
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AB45427
ChemicalName: Isoquinoline-6-carboxylic acid
CasNumber: 106778-43-2
MolecularFormula: C10H7NO2
MolecularWeight: 173.1681
MdlNumber: MFCD09910323
Smiles: C1=CC2=C(C=CN=C2)C=C1C(=O)O
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB45427
ChemicalName:
Isoquinoline-6-carboxylic acid
CasNumber:
106778-43-2
MolecularFormula:
C10H7NO2
MolecularWeight:
173.1681
MdlNumber:
MFCD09910323
Smiles:
C1=CC2=C(C=CN=C2)C=C1C(=O)O
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: AB45428
ChemicalName: 6-Methoxyindoline-2,3-dione
CasNumber: 52351-75-4
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD00667731
Smiles: COc1ccc2c(c1)NC(=O)C2=O
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB45428
ChemicalName:
6-Methoxyindoline-2,3-dione
CasNumber:
52351-75-4
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD00667731
Smiles:
COc1ccc2c(c1)NC(=O)C2=O
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: AB45429
ChemicalName: 6-Methoxy-5-nitro-1h-indazole
CasNumber: 152626-75-0
MolecularFormula: C8H7N3O3
MolecularWeight: 193.1595
MdlNumber: MFCD11007881
Smiles: COc1cc2[nH]ncc2cc1[N+](=O)[O-]
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB45429
ChemicalName:
6-Methoxy-5-nitro-1h-indazole
CasNumber:
152626-75-0
MolecularFormula:
C8H7N3O3
MolecularWeight:
193.1595
MdlNumber:
MFCD11007881
Smiles:
COc1cc2[nH]ncc2cc1[N+](=O)[O-]
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: AB45430
ChemicalName: Monomethyl adipate
CasNumber: 627-91-8
MolecularFormula: C7H12O4
MolecularWeight: 160.1678
MdlNumber: MFCD00004418
Smiles: COC(=O)CCCCC(=O)O
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 0.7
CatalogNumber:
AB45430
ChemicalName:
Monomethyl adipate
CasNumber:
627-91-8
MolecularFormula:
C7H12O4
MolecularWeight:
160.1678
MdlNumber:
MFCD00004418
Smiles:
COC(=O)CCCCC(=O)O
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
0.7