2-pyrimidineacetic acid - CAS 66621-73-6
Catalog: |
BB033070 |
Product Name: |
2-pyrimidineacetic acid |
CAS: |
66621-73-6 |
Synonyms: |
2-(2-pyrimidinyl)acetic acid; 2-pyrimidin-2-ylacetic acid |
IUPAC Name: | 2-pyrimidin-2-ylacetic acid |
Description: | 2-pyrimidineacetic acid (CAS# 66621-73-6) is a reagent that is used in the preparation of pyrimidine derivatives for treating and or preventing sexual dysfunction. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | C1=CN=C(N=C1)CC(=O)O |
InChI: | InChI=1S/C6H6N2O2/c9-6(10)4-5-7-2-1-3-8-5/h1-3H,4H2,(H,9,10) |
InChI Key: | NRRCYZPJUABYHL-UHFFFAOYSA-N |
Boiling Point: | 287.5 ℃ at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.336 g/cm3 |
MDL: | MFCD04973302 |
LogP: | 0.10370 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021132524-A1 | Epoxy azepan derivative | 20191225 |
WO-2021065898-A1 | Azepan derivative | 20190930 |
CN-110229188-A | A kind of preparation method of arylmethyl phosphono compound | 20190620 |
CN-110229188-B | Preparation method of arylmethylphosphonic acid compound | 20190620 |
WO-2020085234-A1 | Morphinan derivative | 20181022 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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