4-Methoxythiophene-2-carboxylic Acid - CAS 77133-27-8
Catalog: |
BB035813 |
Product Name: |
4-Methoxythiophene-2-carboxylic Acid |
CAS: |
77133-27-8 |
Synonyms: |
4-methoxy-2-thiophenecarboxylic acid; 4-methoxythiophene-2-carboxylic acid |
IUPAC Name: | 4-methoxythiophene-2-carboxylic acid |
Description: | 4-Methoxythiophene-2-carboxylic Acid (CAS# 77133-27-8) is a useful research chemical. |
Molecular Weight: | 158.18 |
Molecular Formula: | C6H6O3S |
Canonical SMILES: | COC1=CSC(=C1)C(=O)O |
InChI: | InChI=1S/C6H6O3S/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3,(H,7,8) |
InChI Key: | RZKNUGQFDJQRJO-UHFFFAOYSA-N |
LogP: | 1.45490 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021010492-A1 | Compound having kdm5 inhibitory activity and pharmaceutical use thereof | 20190717 |
CN-107954976-A | A kind of method of synthesis 3,4- dimethoxy-thiophenes | 20171208 |
CN-107954976-B | A method of synthesis 3,4- dimethoxy-thiophene | 20171208 |
US-2016326146-A1 | Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase | 20131204 |
US-9776991-B2 | Thienomethylpiperazine derivatives as inhibitors of soluble epoxide hydrolase | 20131204 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.00376522 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.00376522 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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