Methyl 3,5-dimethylbenzoate - CAS 25081-39-4
Catalog: |
BB018730 |
Product Name: |
Methyl 3,5-dimethylbenzoate |
CAS: |
25081-39-4 |
Synonyms: |
methyl 3,5-dimethylbenzoate |
IUPAC Name: | methyl 3,5-dimethylbenzoate |
Description: | Methyl 3,5-dimethylbenzoate (CAS# 25081-39-4) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC1=CC(=CC(=C1)C(=O)OC)C |
InChI: | InChI=1S/C10H12O2/c1-7-4-8(2)6-9(5-7)10(11)12-3/h4-6H,1-3H3 |
InChI Key: | PEVXENGLERTHJE-UHFFFAOYSA-N |
Boiling Point: | 239 ℃ |
Density: | 1.02 g/cm3 |
MDL: | MFCD00077971 |
LogP: | 2.09000 |
Publication Number | Title | Priority Date |
CN-112661611-A | Preparation method of benzenediol bioactive substance | 20201231 |
CN-112851506-A | Industrial preparation method of 3, 5-dimethoxy, 4-alkyl benzyl alcohol | 20201231 |
KR-20210101636-A | 1,2,4-oxadiazol derivatives compound and antiviral agent containing the same as an active ingredient | 20200210 |
CN-110407690-A | A method of benzoic acid phenolic ester class ultraviolet absorbing agent is prepared by transesterification | 20190821 |
JP-2020164525-A | Glucose sensitive insulin derivative | 20190329 |
Complexity: | 155 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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