3-Fluoro-2-methylcinnamic Acid - CAS 155814-23-6
Catalog: |
BB063407 |
Product Name: |
3-Fluoro-2-methylcinnamic Acid |
CAS: |
155814-23-6 |
Synonyms: |
3-FLUORO-2-METHYLCINNAMIC ACID; (2E)-3-(3-fluoro-2-methylphenyl)prop-2-enoic acid; (E)-3-(3-fluoro-2-methylphenyl)prop-2-enoic acid; 3-(3-Fluoro-2-methylphenyl)prop-2-enoic acid; 3-FLUORO-2-METHYLCINNAMICACID |
IUPAC Name: | (E)-3-(3-fluoro-2-methylphenyl)prop-2-enoic acid |
Molecular Weight: | 180.18 |
Molecular Formula: | C10H9FO2 |
Canonical SMILES: | CC1=C(C=CC=C1F)C=CC(=O)O |
InChI: | InChI=1S/C10H9FO2/c1-7-8(5-6-10(12)13)3-2-4-9(7)11/h2-6H,1H3,(H,12,13)/b6-5+ |
InChI Key: | NZDLRLIWXWVPES-AATRIKPKSA-N |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 180.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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