Hydrocinnamic acid - CAS 501-52-0

Catalog:	BB026936
Product Name:	Hydrocinnamic acid
CAS:	501-52-0
Synonyms:	3-phenylpropanoic acid
Application:	Used in the compositions for the treatment of blood disorders using α-methylhydrocinnamic acid.

Technical Data

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Computed Properties

IUPAC Name:	3-phenylpropanoic acid
Description:	Hydrocinnamic acid isolated from the herbs of Piper nigrum.
Molecular Weight:	150.17
Molecular Formula:	C9H10O2
Canonical SMILES:	C1=CC=C(C=C1)CCC(=O)O
InChI:	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key:	XMIIGOLPHOKFCH-UHFFFAOYSA-N
Boiling Point:	279-281 °C
Melting Point:	45 - 48 °C
Purity:	98 %
Density:	1.071 g/mL
Appearance:	Powder
MDL:	MFCD00002771
LogP:	1.70380
Quality Standard:	Enterprise Standard

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
US-10934318-B1	Synthesis of the organoarsenical antibiotic arsinothricin and derivatives thereof	20200605
US-10905698-B1	Methods of treating SARS-COV-2 infections	20200514
US-11008322-B1	Method of synthesizing (1S,12bS) lactam ester compound	20200219
US-10836869-B1	Polymer excipients for drug delivery applications	20200110

PMID	Publication Date	Title	Journal
22885080	20121001	Physico-chemical studies of new luminescent chemosensor for Cu2+	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
23075788	20121001	Functional mechanism of plant growth retardation by Bacillus subtilis IJ-31 and its allelochemicals	Journal of microbiology and biotechnology
22795085	20120905	Crystal structure of 12-lipoxygenase catalytic-domain-inhibitor complex identifies a substrate-binding channel for catalysis	Structure (London, England : 1993)
22739317	20120627	Activation of remote meta-C-H bonds assisted by an end-on template	Nature
22489542	20120502	Characterization of the key aroma compounds in rape honey by means of the molecular sensory science concept	Journal of agricultural and food chemistry

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Related Functional Groups

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.068079557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8