4-(Acetoxymethyl)benzoic Acid - CAS 15561-46-3
Catalog: |
BB011135 |
Product Name: |
4-(Acetoxymethyl)benzoic Acid |
CAS: |
15561-46-3 |
Synonyms: |
4-(acetyloxymethyl)benzoic acid; 4-(acetyloxymethyl)benzoic acid |
IUPAC Name: | 4-(acetyloxymethyl)benzoic acid |
Description: | 4-(Acetoxymethyl)benzoic Acid (CAS# 15561-46-3) is a useful research chemical. |
Molecular Weight: | 194.18 |
Molecular Formula: | C10H10O4 |
Canonical SMILES: | CC(=O)OCC1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C10H10O4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13) |
InChI Key: | DLMONAQGOXNQGP-UHFFFAOYSA-N |
Boiling Point: | 327.4 °C at 760 mmHg |
Density: | 1.254 g/cm3 |
LogP: | 1.44790 |
Publication Number | Title | Priority Date |
CN-106188190-B | Preparation method of tolgliflozin monohydrate | 20160728 |
EP-3374416-A1 | Photoalignment materials | 20151111 |
JP-2019500445-A | Photo-alignment material | 20151111 |
KR-20180082537-A | Photo-alignment material | 20151111 |
US-10696795-B2 | Photoaligning materials | 20151111 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.0579088 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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