3-Methylcinnamic Acid - CAS 3029-79-6
Catalog: |
BB020539 |
Product Name: |
3-Methylcinnamic Acid |
CAS: |
3029-79-6 |
Synonyms: |
(E)-3-(3-methylphenyl)-2-propenoic acid; (E)-3-(3-methylphenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(3-methylphenyl)prop-2-enoic acid |
Description: | 3-Methylcinnamic Acid (CAS# 3029-79-6) is a useful research chemical. |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | CC1=CC=CC(=C1)C=CC(=O)O |
InChI: | InChI=1S/C10H10O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+ |
InChI Key: | JZINNAKNHHQBOS-AATRIKPKSA-N |
Boiling Point: | 298.3 °C at 760 mmHg |
Melting Point: | 116-119°C |
Flash Point: | 203.9°C |
Purity: | 98.0% |
Appearance: | White crystalline powder |
LogP: | 2.09280 |
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-112608275-A | Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases | 20201229 |
WO-2021200028-A1 | Prepreg, fiber-reinforced composite material, high-pressure gas storage tank, method for producing prepreg, and method for producing high-pressure gas storage tank | 20200401 |
WO-2021193349-A1 | Hydrophilic oil repellent polymer | 20200324 |
JP-2021147514-A | Copolymers containing benzotriazole-based UV absorbing units and their compositions | 20200319 |
WO-2021187344-A1 | Copolymer including benzotriazole-based ultraviolet-absorbing unit and composition thereof | 20200319 |
PMID | Publication Date | Title | Journal |
21167710 | 20110501 | Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A) | Bioorganic & medicinal chemistry letters |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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