2-(4-Methylphenyl)cyclopropanecarboxylic Acid - CAS 869941-94-6
Catalog: |
BB038159 |
Product Name: |
2-(4-Methylphenyl)cyclopropanecarboxylic Acid |
CAS: |
869941-94-6 |
Synonyms: |
2-(4-methylphenyl)-1-cyclopropanecarboxylic acid; 2-(4-methylphenyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 2-(4-methylphenyl)cyclopropane-1-carboxylic acid |
Description: | 2-(4-Methylphenyl)cyclopropanecarboxylic Acid (CAS# 869941-94-6) is a useful research chemical. |
Molecular Weight: | 176.21 |
Molecular Formula: | C11H12O2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2CC2C(=O)O |
InChI: | InChI=1S/C11H12O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13) |
InChI Key: | GAGYDDATWSBNEG-UHFFFAOYSA-N |
MDL: | MFCD05861681 |
LogP: | 2.18310 |
GHS Hazard Statement: | H302 (50%): 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-2019204477-A1 | Pd(ii)-catalyzed enantioselective c-h arylation of free carboxylic acids | 20180419 |
WO-2015181380-A1 | Cyclopropylamine compounds as histone demethylase inhibitors | 20140530 |
US-2016257662-A1 | Kdm1a inhibitors for the treatment of disease | 20130806 |
US-2017334873-A1 | Kdm1a inhibitors for the treatment of disease | 20130806 |
US-9790195-B2 | KDM1A inhibitors for the treatment of disease | 20130806 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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