2-[(1-Methyl-1H-pyrazol-5-yl)methoxy]acetic acid - CAS 1173076-45-3
Catalog: |
BB052869 |
Product Name: |
2-[(1-Methyl-1H-pyrazol-5-yl)methoxy]acetic acid |
CAS: |
1173076-45-3 |
Synonyms: |
[(1-methyl-1H-pyrazol-5-yl)methoxy]acetic acid; 2-((1-Methyl-1H-pyrazol-5-yl)methoxy)acetic acid; 2-[(1-methylpyrazol-5-yl)methoxy]acetic acid |
IUPAC Name: | 2-[(2-methylpyrazol-3-yl)methoxy]acetic acid |
Molecular Weight: | 170.17 |
Molecular Formula: | C7H10N2O3 |
Canonical SMILES: | CN1C(=CC=N1)COCC(=O)O |
InChI: | InChI=1S/C7H10N2O3/c1-9-6(2-3-8-9)4-12-5-7(10)11/h2-3H,4-5H2,1H3,(H,10,11) |
InChI Key: | PZPZPYKHTXLPNO-UHFFFAOYSA-N |
Boiling Point: | 371.9±22.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.06914219 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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