4-Methyl-benzenepropanoic acid methyl ester - CAS 56955-36-3
Catalog: |
BB059241 |
Product Name: |
4-Methyl-benzenepropanoic acid methyl ester |
CAS: |
56955-36-3 |
Synonyms: |
Methyl 3-(p-tolyl)propanoate; Methyl 3-(4-methylphenyl)propanoate; 4-Methyl-benzenepropanoic acid methyl ester; methyl 3-(4-methylphenyl)propionate; Benzenepropanoic acid, 4-methyl-, methyl ester; Methyl3-(p-tolyl)propanoate |
IUPAC Name: | methyl 3-(4-methylphenyl)propanoate |
Description: | 4-Methyl-benzenepropanoic acid methyl ester |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CC1=CC=C(C=C1)CCC(=O)OC |
InChI: | InChI=1S/C11H14O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-6H,7-8H2,1-2H3 |
InChI Key: | ZYODXRYBYZMUNL-UHFFFAOYSA-N |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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