AB67608
21314-17-0 | 1-Phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB67608
ChemicalName
1-Phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CasNumber
21314-17-0
MolecularFormula
C11H8N4O
MolecularWeight
212.2074
MdlNumber
MFCD00082637
Smiles
Oc1ncnc2c1cnn2c1ccccc1
NscNumber
3954
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AB67608
ChemicalName: 1-Phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CasNumber: 21314-17-0
MolecularFormula: C11H8N4O
MolecularWeight: 212.2074
MdlNumber: MFCD00082637
Smiles: Oc1ncnc2c1cnn2c1ccccc1
NscNumber: 3954
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB67608
ChemicalName:
1-Phenyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CasNumber:
21314-17-0
MolecularFormula:
C11H8N4O
MolecularWeight:
212.2074
MdlNumber:
MFCD00082637
Smiles:
Oc1ncnc2c1cnn2c1ccccc1
NscNumber:
3954
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AB67609
ChemicalName: 4-Hydroxy-2-(trifluoromethyl)benzoic acid
CasNumber: 320-32-1
MolecularFormula: C8H5F3O3
MolecularWeight: 206.1187
MdlNumber: MFCD01091007
Smiles: Oc1ccc(c(c1)C(F)(F)F)C(=O)O
NscNumber: __
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB67609
ChemicalName:
4-Hydroxy-2-(trifluoromethyl)benzoic acid
CasNumber:
320-32-1
MolecularFormula:
C8H5F3O3
MolecularWeight:
206.1187
MdlNumber:
MFCD01091007
Smiles:
Oc1ccc(c(c1)C(F)(F)F)C(=O)O
NscNumber:
__
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB67610
ChemicalName: 4-Hydroxy-2-(trifluoromethyl)benzonitrile
CasNumber: 320-42-3
MolecularFormula: C8H4F3NO
MolecularWeight: 187.1187
MdlNumber: MFCD06797340
Smiles: N#Cc1ccc(cc1C(F)(F)F)O
NscNumber: __
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB67610
ChemicalName:
4-Hydroxy-2-(trifluoromethyl)benzonitrile
CasNumber:
320-42-3
MolecularFormula:
C8H4F3NO
MolecularWeight:
187.1187
MdlNumber:
MFCD06797340
Smiles:
N#Cc1ccc(cc1C(F)(F)F)O
NscNumber:
__
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AB67611
ChemicalName: 4-Hydroxy-2,5-dimethyl-3(2h)-furanone
CasNumber: 3658-77-3
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD00010706
Smiles: CC1OC(=C(C1=O)O)C
NscNumber: __
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
AB67611
ChemicalName:
4-Hydroxy-2,5-dimethyl-3(2h)-furanone
CasNumber:
3658-77-3
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD00010706
Smiles:
CC1OC(=C(C1=O)O)C
NscNumber:
__
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.7