1,5-Dimethyl-1H-pyrrole-2-carboxylic acid - CAS 73476-30-9
Catalog: |
BB034850 |
Product Name: |
1,5-Dimethyl-1H-pyrrole-2-carboxylic acid |
CAS: |
73476-30-9 |
Synonyms: |
1,5-dimethylpyrrole-2-carboxylic acid |
IUPAC Name: | 1,5-dimethylpyrrole-2-carboxylic acid |
Description: | 1,5-Dimethyl-1H-pyrrole-2-carboxylic acid (CAS# 73476-30-9) is a useful research chemical. |
Molecular Weight: | 139.15 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | CC1=CC=C(N1C)C(=O)O |
InChI: | InChI=1S/C7H9NO2/c1-5-3-4-6(7(9)10)8(5)2/h3-4H,1-2H3,(H,9,10) |
InChI Key: | NDJXNNQYGYBVNQ-UHFFFAOYSA-N |
Boiling Point: | 290.3 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD01859979 |
LogP: | 1.03170 |
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 |
JP-2021114435-A | Non-aqueous electrolyte additive, non-aqueous electrolyte and non-aqueous electrolyte secondary battery containing it | 20200121 |
WO-2018089493-A1 | PYRROLE mTORC INHIBITORS AND USES THEREOF | 20161108 |
US-2017291917-A1 | Kinase inhibitors | 20160406 |
EP-3157938-A1 | Hetero functional binding systems | 20140617 |
US-2017115285-A1 | Hetero functional binding systems | 20140617 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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