Methyl 5-Formyl-2-methylbenzoate - CAS 675148-96-6
Catalog: |
BB033304 |
Product Name: |
Methyl 5-Formyl-2-methylbenzoate |
CAS: |
675148-96-6 |
Synonyms: |
5-formyl-2-methylbenzoic acid methyl ester; methyl 5-formyl-2-methylbenzoate |
IUPAC Name: | methyl 5-formyl-2-methylbenzoate |
Description: | Methyl 5-Formyl-2-methylbenzoate (CAS# 675148-96-6) is a useful research chemical. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | CC1=C(C=C(C=C1)C=O)C(=O)OC |
InChI: | InChI=1S/C10H10O3/c1-7-3-4-8(6-11)5-9(7)10(12)13-2/h3-6H,1-2H3 |
InChI Key: | MIIQLLBCEKFYBZ-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
LogP: | 1.59410 |
Publication Number | Title | Priority Date |
WO-2018089433-A1 | PHENYL mTORC INHIBITORS AND USES THEREOF | 20161108 |
US-10030020-B2 | Spirocycle compounds and methods of making and using same | 20160512 |
US-2017327500-A1 | Spirocycle compounds and methods of making and using same | 20160512 |
AU-2015363761-A1 | Substituted amino triazoles useful as acidic mammalian chitinase inhibitors | 20141219 |
EP-3233832-A1 | Substituted amino triazoles useful as acidic mammalian chitinase inhibitors | 20141219 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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