4-(2-Hydroxy-2-propyl)benzoic Acid - CAS 3609-50-5
Catalog: |
BB022862 |
Product Name: |
4-(2-Hydroxy-2-propyl)benzoic Acid |
CAS: |
3609-50-5 |
Synonyms: |
4-(2-hydroxypropan-2-yl)benzoic acid; 4-(2-hydroxypropan-2-yl)benzoic acid |
IUPAC Name: | 4-(2-hydroxypropan-2-yl)benzoic acid |
Description: | 4-(2-Hydroxy-2-propyl)benzoic Acid (CAS# 3609-50-5) is a cuminaldehyde derivative. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(C)(C1=CC=C(C=C1)C(=O)O)O |
InChI: | InChI=1S/C10H12O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3-6,13H,1-2H3,(H,11,12) |
InChI Key: | SLFZJKUFAVHARP-UHFFFAOYSA-N |
Boiling Point: | 340.8 °C at 760 mmHg |
Density: | 1.204 g/cm3 |
LogP: | 1.61220 |
Publication Number | Title | Priority Date |
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Complexity: | 190 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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