3-(4-Isobutylphenyl)acrylic Acid - CAS 66734-95-0
Catalog: |
BB033091 |
Product Name: |
3-(4-Isobutylphenyl)acrylic Acid |
CAS: |
66734-95-0 |
Synonyms: |
(E)-3-[4-(2-methylpropyl)phenyl]-2-propenoic acid; (E)-3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid |
IUPAC Name: | (E)-3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid |
Description: | 3-(4-Isobutylphenyl)acrylic Acid (CAS# 66734-95-0) is a useful research chemical. |
Molecular Weight: | 204.26 |
Molecular Formula: | C13H16O2 |
Canonical SMILES: | CC(C)CC1=CC=C(C=C1)C=CC(=O)O |
InChI: | InChI=1S/C13H16O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-8,10H,9H2,1-2H3,(H,14,15)/b8-7+ |
InChI Key: | FFVQPPLMTMUAQD-BQYQJAHWSA-N |
Boiling Point: | 333.978 ℃ at 760 mmHg |
Density: | 1.068 g/cm3 |
MDL: | MFCD00800640 |
LogP: | 2.98290 |
Publication Number | Title | Priority Date |
TW-201833081-A | Curing agent for curing polymer resin | 20161208 |
WO-2017192991-A1 | Selective estrogen receptor down-regulators (serds) | 20160506 |
JP-2016029119-A | Aqueous liquid absorbent resin composition | 20140725 |
EP-3097067-A1 | Improvements in or relating to organic compounds | 20140124 |
EP-3097067-B1 | Improvements in or relating to organic compounds | 20140124 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 204.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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