AH35906
679436-55-6 | 5-(Carboxymethoxy)-1-methyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH35906
ChemicalName
5-(Carboxymethoxy)-1-methyl-1h-pyrazole-3-carboxylic acid
CasNumber
679436-55-6
MolecularFormula
C7H8N2O5
MolecularWeight
200.1488
MdlNumber
MFCD18809602
Smiles
OC(=O)COc1cc(nn1C)C(=O)O
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AH35906
ChemicalName: 5-(Carboxymethoxy)-1-methyl-1h-pyrazole-3-carboxylic acid
CasNumber: 679436-55-6
MolecularFormula: C7H8N2O5
MolecularWeight: 200.1488
MdlNumber: MFCD18809602
Smiles: OC(=O)COc1cc(nn1C)C(=O)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AH35906
ChemicalName:
5-(Carboxymethoxy)-1-methyl-1h-pyrazole-3-carboxylic acid
CasNumber:
679436-55-6
MolecularFormula:
C7H8N2O5
MolecularWeight:
200.1488
MdlNumber:
MFCD18809602
Smiles:
OC(=O)COc1cc(nn1C)C(=O)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: COC1OC(=CCC1C)C#N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC1OC(=CCC1C)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: CN(C)C=C1COCCC1=O
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__
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MolecularFormula:
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Smiles:
CN(C)C=C1COCCC1=O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: CCOc1cc([nH]n1)C(F)(F)F
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOc1cc([nH]n1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__