AB65189
92933-47-6 | 5-Isopropyl-2h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65189
ChemicalName
5-Isopropyl-2h-pyrazole-3-carboxylic acid
CasNumber
92933-47-6
MolecularFormula
C7H10N2O2
MolecularWeight
154.1665
MdlNumber
MFCD05170240
Smiles
CC(c1[nH]nc(c1)C(=O)O)C
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AB65189
ChemicalName: 5-Isopropyl-2h-pyrazole-3-carboxylic acid
CasNumber: 92933-47-6
MolecularFormula: C7H10N2O2
MolecularWeight: 154.1665
MdlNumber: MFCD05170240
Smiles: CC(c1[nH]nc(c1)C(=O)O)C
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AB65189
ChemicalName:
5-Isopropyl-2h-pyrazole-3-carboxylic acid
CasNumber:
92933-47-6
MolecularFormula:
C7H10N2O2
MolecularWeight:
154.1665
MdlNumber:
MFCD05170240
Smiles:
CC(c1[nH]nc(c1)C(=O)O)C
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SC(=N)NCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC(=N)NCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65191
ChemicalName: Morpholin-3-one
CasNumber: 109-11-5
MolecularFormula: C4H7NO2
MolecularWeight: 101.1039
MdlNumber: MFCD00631009
Smiles: O=C1COCCN1
Complexity: 81.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
AB65191
ChemicalName:
Morpholin-3-one
CasNumber:
109-11-5
MolecularFormula:
C4H7NO2
MolecularWeight:
101.1039
MdlNumber:
MFCD00631009
Smiles:
O=C1COCCN1
Complexity:
81.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O]N1C(C)(C)CC(C1(C)C)N1C(=O)C=CC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O]N1C(C)(C)CC(C1(C)C)N1C(=O)C=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__