1,4-Dihydro-2-methylbenzoic acid - CAS 55886-48-1
Catalog: |
BB029211 |
Product Name: |
1,4-Dihydro-2-methylbenzoic acid |
CAS: |
55886-48-1 |
Synonyms: |
2-methylcyclohexa-2,5-diene-1-carboxylic acid |
IUPAC Name: | 2-methylcyclohexa-2,5-diene-1-carboxylic acid |
Description: | 1,4-Dihydro-2-methylbenzoic acid (CAS# 55886-48-1) is a useful research chemical. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | CC1=CCC=CC1C(=O)O |
InChI: | InChI=1S/C8H10O2/c1-6-4-2-3-5-7(6)8(9)10/h3-5,7H,2H2,1H3,(H,9,10) |
InChI Key: | GYUSHSKDGRZQOB-UHFFFAOYSA-N |
Boiling Point: | 253.6 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
MDL: | MFCD00010806 |
LogP: | 1.59340 |
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-109456193-A | A kind of unsaturation fluorocarbons and its preparation method and application | 20181115 |
CN-109534968-A | A kind of unsaturation fluorocarbons and its preparation method and application | 20181115 |
CN-109534992-A | A kind of unsaturation fluorocarbons and its preparation method and application | 20181115 |
CN-109534993-A | A kind of unsaturation fluorocarbons and its preparation method and application | 20181115 |
US-2015239931-A1 | Inhibitors of protein tyrosine phosphatases | 20121004 |
PMID | Publication Date | Title | Journal |
21793062 | 20110829 | Probing lipid peroxidation by using linoleic acid and benzophenone | Chemistry (Weinheim an der Bergstrasse, Germany) |
15124816 | 20040507 | Oxidative effects induced by dediazoniation of the p-hydroxybenzenediazonium ion in a neutral aqueous medium | Journal of chromatography. A |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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