CAS: 25016-20-0
名称: 1-methylpyrazole-3-carboxylic acid
SMILES:
CN1C=CC(=N1)C(=O)OMolecular Processing
Molecular formula
C5H6N2O2
Molecular weight
126.11
Exact mass
126.0429
XLogP
0.12
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
30.17
Supplementary Information
InChIKey: YBFIKNNFQIBIQZ-UHFFFAOYSA-N
同義語
1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-0DTXSID10341451RefChem:433885DTXCID30292532640-133-71-methylpyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 1-methyl-MFCD004642541-methyl-pyrazole-3-carboxylic acidPyrazole-3-carboxylic acid, 1-methyl-1-methyl pyrazole-3-carboxylic acid1-Methyl-1H-pyrazole-3-carboxylicacidBAS 101570424ERN3JB4ZWSCHEMBL2637131-methylpyrazolecarboxylic acidorb2940046SCHEMBL2444052SCHEMBL3418776CHEBI:74738ALBB-004719CS-D1728SBB000008STK315907TYD-00533AKOS000304127PB29090PS-4011AC-26268
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