3-Phenylglutaric Acid

Product Information

Molecular Formula:
C11H12O4
Molecular Weight:
208.21
Description
3-Phenylglutaric Acid (CAS# 4165-96-2) is useful in the synthesis of manganese catalysts for the stereoselective synthesis of cyclealkanes.
Synonyms
3-phenylpentanedioic acid; 3-phenylpentanedioic acid
IUPAC Name
3-phenylpentanedioic acid
Canonical SMILES
C1=CC=C(C=C1)C(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChI Key
RZOKZOYSUCSPDF-UHFFFAOYSA-N
Boiling Point
379 °C
Melting Point
140-143 °C (lit.)
Flash Point
Not applicable
Purity
97 %
LogP
1.71960

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
208.07355886 g/mol
Monoisotopic Mass
208.07355886 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
215
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113583424-A Polycarbonate composite material with Rayleigh scattering function 2021-08-27
JP-6956911-B1 Antistatic agent 2021-06-18
CN-112939895-A Glycyl amine derivative and preparation method and application thereof 2021-02-08
CN-112962165-A Spandex fiber with reversible three-shape memory effect and preparation method and application thereof 2021-01-21
CN-112831033-A Method for synthesizing aromatic-aliphatic copolyester without catalyst and product thereof 2021-01-05
CN-112663168-A Spandex fiber with reversible shape memory effect and preparation method and application thereof 2020-12-22
CN-111978528-A Method for synthesizing aromatic polyester without catalyst and product thereof 2020-09-02
CN-111978528-B Method for synthesizing aromatic polyester without catalyst and product thereof 2020-09-02
JP-2022021149-A A composition, a synthetic resin composition containing the composition, and a molded product thereof. 2020-07-21
JP-2021195399-A Resin composition and automobile interior materials using it 2020-06-10

Literatures

PMID Publication Date Title Journal
21589418 2010-11-10 Dimethyl 3-phenyl-penta-nedioate Acta crystallographica. Section E, Structure reports online
12036348 2002-06-06 SAR and X-ray. A new approach combining fragment-based screening and rational drug design: application to the discovery of nanomolar inhibitors of Src SH2 Journal of medicinal chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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