Methyl 4-Methoxy-3-methylbenzoate - CAS 70347-04-5
Catalog: |
BB034133 |
Product Name: |
Methyl 4-Methoxy-3-methylbenzoate |
CAS: |
70347-04-5 |
Synonyms: |
4-methoxy-3-methylbenzoic acid methyl ester; methyl 4-methoxy-3-methylbenzoate |
IUPAC Name: | methyl 4-methoxy-3-methylbenzoate |
Description: | Methyl 4-Methoxy-3-methylbenzoate (CAS# 70347-04-5) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)OC)OC |
InChI: | InChI=1S/C10H12O3/c1-7-6-8(10(11)13-3)4-5-9(7)12-2/h4-6H,1-3H3 |
InChI Key: | NRJGLTXKVDHVPG-UHFFFAOYSA-N |
Boiling Point: | 269.5 °C at 760 mmHg |
Density: | 1.075 g/cm3 |
MDL: | MFCD06203809 |
LogP: | 1.79020 |
Publication Number | Title | Priority Date |
CN-111253404-A | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 20181130 |
WO-2020108659-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
EP-3889156-A1 | Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof | 20181130 |
US-2020055824-A1 | Wdr5-mll1 inhibitors and modulators | 20180816 |
US-10807959-B2 | WDR5-MLL1 inhibitors and modulators | 20180816 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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