2-Methylhydrocinnamic acid - CAS 22084-89-5
Catalog: |
BB017357 |
Product Name: |
2-Methylhydrocinnamic acid |
CAS: |
22084-89-5 |
Synonyms: |
3-(2-methylphenyl)propanoic acid |
IUPAC Name: | 3-(2-methylphenyl)propanoic acid |
Description: | 2-Methylhydrocinnamic acid (CAS# 22084-89-5) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=CC=CC=C1CCC(=O)O |
InChI: | InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
InChI Key: | JIRKNEAMPYVPTD-UHFFFAOYSA-N |
Boiling Point: | 293.3 ℃ at 760 mmHg |
Melting Point: | 100-103 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.097 g/cm3 |
MDL: | MFCD00079773 |
LogP: | 2.01220 |
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 |
CN-111217694-A | method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound | 20200212 |
WO-2021119971-A1 | Sealant composition | 20191217 |
WO-2021119972-A1 | Polydiorganosiloxane preparation | 20191217 |
WO-2021119974-A1 | Sealant composition | 20191217 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
PMID | Publication Date | Title | Journal |
17530847 | 20070620 | Indirect ortho functionalization of substituted toluenes through ortho olefination of N,N-dimethylbenzylamines tuned by the acidity of reaction conditions | Journal of the American Chemical Society |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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