(R)-3-Phenylbutyric Acid - CAS 772-14-5

Catalog:	BB035860
Product Name:	(R)-3-Phenylbutyric Acid
CAS:	772-14-5
Synonyms:	(3R)-3-phenylbutanoic acid; (3R)-3-phenylbutanoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(3R)-3-phenylbutanoic acid
Description:	(R)-3-Phenylbutyric Acid (CAS# 772-14-5 ) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC(CC(=O)O)C1=CC=CC=C1
InChI:	InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
InChI Key:	ZZEWMYILWXCRHZ-MRVPVSSYSA-N
Boiling Point:	94-95 °C / 0.3 mmHg (lit.)
Density:	1.069 g/mL at 20 °C(lit.)
MDL:	MFCD00077841
LogP:	2.26480

Publication Number	Title	Priority Date
WO-2021017645-A1	RACEMIC PREPARATION METHOD FOR CHIRAL Î²-AMINO ACID AND DERIVATIVE THEREOF	20190801
WO-2020207352-A1	Triazine benzimidazole compounds and medical use thereof	20190411
CN-113423709-A	Triazinoneimidazoles and their use in medicine	20190411
US-2020247785-A1	IL-17 Ligands And Uses Thereof	20190206
CN-113365696-A	Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19)	20181206

PMID	Publication Date	Title	Journal
14611219	20031119	Lipase-catalyzed kinetic resolution on solid-phase via a 'capture and release' strategy	Journal of the American Chemical Society

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2