AB69372
39755-95-8 | 5-Methoxyisatin
Manufacturer: A2B Chem
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CatalogNumber
AB69372
ChemicalName
5-Methoxyisatin
CasNumber
39755-95-8
MolecularFormula
C9H7NO3
MolecularWeight
177.15677999999997
MdlNumber
MFCD00169023
Smiles
COc1ccc2c(c1)C(=O)C(=O)N2
NscNumber
88052
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AB69372
ChemicalName: 5-Methoxyisatin
CasNumber: 39755-95-8
MolecularFormula: C9H7NO3
MolecularWeight: 177.15677999999997
MdlNumber: MFCD00169023
Smiles: COc1ccc2c(c1)C(=O)C(=O)N2
NscNumber: 88052
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB69372
ChemicalName:
5-Methoxyisatin
CasNumber:
39755-95-8
MolecularFormula:
C9H7NO3
MolecularWeight:
177.15677999999997
MdlNumber:
MFCD00169023
Smiles:
COc1ccc2c(c1)C(=O)C(=O)N2
NscNumber:
88052
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)cc([nH]2)C(=O)O
NscNumber: __
Complexity: 231
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)cc([nH]2)C(=O)O
NscNumber:
__
Complexity:
231
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AB69374
ChemicalName: 5-Methoxyindole-3-acetic acid
CasNumber: 3471-31-6
MolecularFormula: C11H11NO3
MolecularWeight: 205.20994000000005
MdlNumber: MFCD00005638
Smiles: COc1ccc2c(c1)c(c[nH]2)CC(=O)O
NscNumber: __
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB69374
ChemicalName:
5-Methoxyindole-3-acetic acid
CasNumber:
3471-31-6
MolecularFormula:
C11H11NO3
MolecularWeight:
205.20994000000005
MdlNumber:
MFCD00005638
Smiles:
COc1ccc2c(c1)c(c[nH]2)CC(=O)O
NscNumber:
__
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: AB69375
ChemicalName: 5-Methoxyisatoic anhydride
CasNumber: 37795-77-0
MolecularFormula: C9H7NO4
MolecularWeight: 193.15617999999995
MdlNumber: MFCD02179411
Smiles: COc1ccc2c(c1)c(=O)oc(=O)[nH]2
NscNumber: 163035
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB69375
ChemicalName:
5-Methoxyisatoic anhydride
CasNumber:
37795-77-0
MolecularFormula:
C9H7NO4
MolecularWeight:
193.15617999999995
MdlNumber:
MFCD02179411
Smiles:
COc1ccc2c(c1)c(=O)oc(=O)[nH]2
NscNumber:
163035
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1