AV18721
1208081-63-3 | Methyl 5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18721
ChemicalName
Methyl 5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carboxylate
CasNumber
1208081-63-3
MolecularFormula
C7H10N2O3
MolecularWeight
170.1659
MdlNumber
MFCD10568328
Smiles
Cn1nc(cc1CO)C(=O)OC
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.4
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CatalogNumber: AV18721
ChemicalName: Methyl 5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carboxylate
CasNumber: 1208081-63-3
MolecularFormula: C7H10N2O3
MolecularWeight: 170.1659
MdlNumber: MFCD10568328
Smiles: Cn1nc(cc1CO)C(=O)OC
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.4
CatalogNumber:
AV18721
ChemicalName:
Methyl 5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carboxylate
CasNumber:
1208081-63-3
MolecularFormula:
C7H10N2O3
MolecularWeight:
170.1659
MdlNumber:
MFCD10568328
Smiles:
Cn1nc(cc1CO)C(=O)OC
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1cc(F)cc(c1)F
Complexity: 383
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1cc(F)cc(c1)F
Complexity:
383
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=N)NO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(=N)NO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1c(SC)ncnc1Cl
Complexity: 124
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1c(SC)ncnc1Cl
Complexity:
124
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2