1,2-dimethyl-1H-pyrrole-3-carboxylic acid - CAS 89776-57-8
Catalog: |
BB039590 |
Product Name: |
1,2-dimethyl-1H-pyrrole-3-carboxylic acid |
CAS: |
89776-57-8 |
Synonyms: |
1,2-dimethyl-3-pyrrolecarboxylic acid; 1,2-dimethylpyrrole-3-carboxylic acid |
IUPAC Name: | 1,2-dimethylpyrrole-3-carboxylic acid |
Description: | 1,2-dimethyl-1H-pyrrole-3-carboxylic acid (CAS# 89776-57-8) is a useful research chemical. |
Molecular Weight: | 139.154 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | CC1=C(C=CN1C)C(=O)O |
InChI: | InChI=1S/C7H9NO2/c1-5-6(7(9)10)3-4-8(5)2/h3-4H,1-2H3,(H,9,10) |
InChI Key: | ZQJODLRWWIIHDM-UHFFFAOYSA-N |
LogP: | 1.03170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
KR-20210069080-A | monoacylglycerol lipase modulator | 20180928 |
KR-20210080378-A | treatment of obesity | 20180918 |
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: | 0.6 |
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Pyrroles
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