AB65735
60875-16-3 | 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65735
ChemicalName
4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
CasNumber
60875-16-3
MolecularFormula
C11H10N2O3
MolecularWeight
218.2087
MdlNumber
MFCD00003135
Smiles
OC(=O)c1ccc(cc1)N1N=C(CC1=O)C
Complexity
343
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AB65735
ChemicalName: 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
CasNumber: 60875-16-3
MolecularFormula: C11H10N2O3
MolecularWeight: 218.2087
MdlNumber: MFCD00003135
Smiles: OC(=O)c1ccc(cc1)N1N=C(CC1=O)C
Complexity: 343
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB65735
ChemicalName:
4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
CasNumber:
60875-16-3
MolecularFormula:
C11H10N2O3
MolecularWeight:
218.2087
MdlNumber:
MFCD00003135
Smiles:
OC(=O)c1ccc(cc1)N1N=C(CC1=O)C
Complexity:
343
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cccc(c1)OC1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cccc(c1)OC1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc(c1)c1csc(n1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc(c1)c1csc(n1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65738
ChemicalName: 4-(3-Nitrophenylsulfonyl)morpholine
CasNumber: 91619-33-9
MolecularFormula: C10H12N2O5S
MolecularWeight: 272.2777
MdlNumber: MFCD00622715
Smiles: [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Complexity: 394
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB65738
ChemicalName:
4-(3-Nitrophenylsulfonyl)morpholine
CasNumber:
91619-33-9
MolecularFormula:
C10H12N2O5S
MolecularWeight:
272.2777
MdlNumber:
MFCD00622715
Smiles:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
Complexity:
394
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.5