AB45428
52351-75-4 | 6-Methoxyindoline-2,3-dione
Manufacturer: A2B Chem
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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
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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
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Smiles: COc1ccc2c(n1)[nH]cc2
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Xlogp3: __
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Smiles:
COc1ccc2c(n1)[nH]cc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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