3-Phenylcyclopentanecarboxylic Acid - CAS 91495-75-9
Catalog: |
BB040216 |
Product Name: |
3-Phenylcyclopentanecarboxylic Acid |
CAS: |
91495-75-9 |
Synonyms: |
3-phenyl-1-cyclopentanecarboxylic acid; 3-phenylcyclopentane-1-carboxylic acid |
IUPAC Name: | 3-phenylcyclopentane-1-carboxylic acid |
Description: | 3-Phenylcyclopentanecarboxylic Acid (CAS# 91495-75-9) is a useful research chemical. |
Molecular Weight: | 190.24 |
Molecular Formula: | C12H14O2 |
Canonical SMILES: | C1CC(CC1C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14) |
InChI Key: | IWOLSKRVZNXDNU-UHFFFAOYSA-N |
LogP: | 2.65490 |
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 |
Publication Number | Title | Priority Date |
WO-2020086533-A1 | 5-membered heteroaryl carboxamide compounds for treatment of hbv | 20181022 |
TW-202028190-A | 5-membered heteroaryl carboxamide compounds for treatment of hbv | 20181022 |
CN-113195055-A | 5-membered heteroaryl carboxamide compounds for HBV therapy | 20181022 |
EP-3870296-A1 | 5-membered heteroaryl carboxamide compounds for treatment of hbv | 20181022 |
KR-20210095143-A | 5-membered heteroaryl carboxamide compounds for the treatment of HBV | 20181022 |
PMID | Publication Date | Title | Journal |
19237229 | 20090601 | New cyclopentane derivatives as inhibitors of steroid metabolizing enzymes AKR1C1 and AKR1C3 | European journal of medicinal chemistry |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.099379685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS