AD95914
84547-61-5 | (1-Methyl-1H-pyrazol-5-yl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AD95914
ChemicalName
(1-Methyl-1H-pyrazol-5-yl)methanol
CasNumber
84547-61-5
MolecularFormula
C5H8N2O
MolecularWeight
112.1298
MdlNumber
MFCD08556301
Smiles
Cn1nccc1CO
Complexity
76.8
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.6
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CatalogNumber: AD95914
ChemicalName: (1-Methyl-1H-pyrazol-5-yl)methanol
CasNumber: 84547-61-5
MolecularFormula: C5H8N2O
MolecularWeight: 112.1298
MdlNumber: MFCD08556301
Smiles: Cn1nccc1CO
Complexity: 76.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.6
CatalogNumber:
AD95914
ChemicalName:
(1-Methyl-1H-pyrazol-5-yl)methanol
CasNumber:
84547-61-5
MolecularFormula:
C5H8N2O
MolecularWeight:
112.1298
MdlNumber:
MFCD08556301
Smiles:
Cn1nccc1CO
Complexity:
76.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.6
CatalogNumber: AD95916
ChemicalName: 3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid
CasNumber: 84545-00-6
MolecularFormula: C8H12O4
MolecularWeight: 172.1785
MdlNumber: MFCD19688558
Smiles: COC(=O)C1CCC(C1)C(=O)O
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AD95916
ChemicalName:
3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid
CasNumber:
84545-00-6
MolecularFormula:
C8H12O4
MolecularWeight:
172.1785
MdlNumber:
MFCD19688558
Smiles:
COC(=O)C1CCC(C1)C(=O)O
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
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Smiles: CC(C(C(=O)[O-])NS(=O)(=O)c1cccc2c1cccc2N(C)C)O.[NH3+]C1CCCCC1
Complexity: __
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Smiles:
CC(C(C(=O)[O-])NS(=O)(=O)c1cccc2c1cccc2N(C)C)O.[NH3+]C1CCCCC1
Complexity:
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Smiles: NC1CCCCC1.CCCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NC1CCCCC1.CCCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C
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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