4,5-Dimethoxy-2-methylbenzoic Acid - CAS 20736-28-1
Catalog: |
BB016241 |
Product Name: |
4,5-Dimethoxy-2-methylbenzoic Acid |
CAS: |
20736-28-1 |
Synonyms: |
4,5-dimethoxy-2-methylbenzoic acid; 4,5-dimethoxy-2-methylbenzoic acid |
IUPAC Name: | 4,5-dimethoxy-2-methylbenzoic acid |
Description: | 4,5-Dimethoxy-2-methylbenzoic Acid (CAS# 20736-28-1 ) is a useful research chemical. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | CC1=CC(=C(C=C1C(=O)O)OC)OC |
InChI: | InChI=1S/C10H12O4/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3,(H,11,12) |
InChI Key: | PRPBPUNVOHTNDA-UHFFFAOYSA-N |
LogP: | 1.71040 |
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 |
CN-109970551-A | A kind of preparation method of neighbour's methyl aryl formic acid derivates | 20190415 |
CN-109970551-B | Preparation method of o-methyl aryl formic acid derivative | 20190415 |
EP-3169662-B1 | Substituted vinyl- and alkinyl-cyanocycloalkanols and vinyl- and alkinyl-cyanoheterocycloalkanols as agents to combat abiotic plant stress | 20140718 |
US-2016137595-A1 | Ido inhibitors | 20130701 |
US-9765018-B2 | IDO inhibitors | 20130701 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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