4-Methoxy-6-methylsalicylaldehyde - CAS 34883-08-4
Catalog: |
BB022344 |
Product Name: |
4-Methoxy-6-methylsalicylaldehyde |
CAS: |
34883-08-4 |
Synonyms: |
2-hydroxy-4-methoxy-6-methylbenzaldehyde; 2-hydroxy-4-methoxy-6-methylbenzaldehyde |
IUPAC Name: | 2-hydroxy-4-methoxy-6-methylbenzaldehyde |
Description: | 4-Methoxy-6-methylsalicylaldehyde (CAS# 34883-08-4) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | CC1=CC(=CC(=C1C=O)O)OC |
InChI: | InChI=1S/C9H10O3/c1-6-3-7(12-2)4-9(11)8(6)5-10/h3-5,11H,1-2H3 |
InChI Key: | UCWVXCBZZYBRAB-UHFFFAOYSA-N |
LogP: | 1.52170 |
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 |
AU-2018268311-A1 | Pyrimidine derivatives as PGE2 receptor modulators | 20170518 |
CA-3060394-A1 | Pyrimidine derivatives as pge2 receptor modulators | 20170518 |
CN-110612299-A | Pyrimidine derivatives as PGE2 receptor modulators | 20170518 |
EP-3625228-A1 | Pyrimidine derivatives as pge2 receptor modulators | 20170518 |
KR-20200007932-A | Pyrimidine Derivatives as PGE2 Receptor Modulators | 20170518 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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