4-Cyanophenylacetic acid - CAS 5462-71-5
Catalog: |
BB028743 |
Product Name: |
4-Cyanophenylacetic acid |
CAS: |
5462-71-5 |
Synonyms: |
2-(4-cyanophenyl)acetic acid |
IUPAC Name: | 2-(4-cyanophenyl)acetic acid |
Description: | 4-Cyanophenylacetic acid (CAS# 5462-71-5) is a useful research chemical. |
Molecular Weight: | 161.16 |
Molecular Formula: | C9H7NO2 |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)C#N |
InChI: | InChI=1S/C9H7NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12) |
InChI Key: | WEBXRQONNWEETE-UHFFFAOYSA-N |
Boiling Point: | 355.2 °C at 760 mmHg |
Melting Point: | 150-154 °C |
Purity: | 95 % |
Density: | 1.26 g/cm3 |
LogP: | 1.18538 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188936-A1 | Phd inhibitor compounds, compositions, and use | 20200320 |
WO-2021188938-A1 | Phd inhibitor compounds, compositions, and use | 20200320 |
WO-2021188944-A1 | Phd inhibitor compounds, compositions, and their use | 20200320 |
CN-112939748-A | Method for preparing deuterated compound through decarboxylation and deuteration of carboxylic acid | 20191210 |
CN-110790661-A | Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide | 20191029 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
-
[7194-86-7]
Nonatriacontane
-
[1071224-34-4]
7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde
-
[635702-60-2]
6-Amino-2,3-dimethyl-2H-indazole Hydrochloride
-
[1388152-02-0]
1,2-Cyclopentanediol, 3-amino-5-[(phosphonooxy)methy]-, ammonium salt (1:2), (1R,2S,3R,5R)-
-
[891016-02-7]
ML-SI3
-
[711-38-6]
2,2,2-Trifluoro-4'-methoxyacetophenone
INDUSTRY LEADERS TRUST OUR PRODUCTS