4-Benzoylphenyl Acrylate - CAS 22535-49-5
Catalog:
BB017653
Product Name:
4-Benzoylphenyl Acrylate
CAS:
22535-49-5
Synonyms:
2-propenoic acid (4-benzoylphenyl) ester
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BB017653
100 g
$299
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IUPAC Name: (4-benzoylphenyl) prop-2-enoate
Description: 4-Benzoylphenyl Acrylate, a pivotal compound employed as a foundation in pharmaceutical synthesis endeavors, plays a vital role in the quest for novel therapeutic agents aimed at combating a plethora of ailments, notably cancer and inflammatory conditions.
Molecular Weight: 252.26
Molecular Formula: C16H12O3
Canonical SMILES: C=CC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI: InChI=1S/C16H12O3/c1-2-15(17)19-14-10-8-13(9-11-14)16(18)12-6-4-3-5-7-12/h2-11H,1H2
InChI Key: LTYBJDPMCPTGEE-UHFFFAOYSA-N
Boiling Point: 407 °C at760 mmHg
Purity: 98%
Density: 1.163 g/cm3
LogP: 3.00900
GHS Hazard Statement: H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement: P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501
Signal Word: Warning
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Complexity: 334
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 252.078644241
Formal Charge: 0
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 252.078644241
Rotatable Bond Count: 5
Topological Polar Surface Area: 43.4 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.6
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