| CAS Number | 886366-10-5 |
| Catalog Number | AG01A88M(AGN-PC-0WO2N5) |
| Chemical Name | 1-(2-methylphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(2-methylphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H12O2/c1-8-4-2-3-5-9(8)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13) |
| InChI Key | MNCZBOKUHKAUHT-UHFFFAOYSA-N |
| MDL Number | MFCD07374437 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | O=C(C1(C2=CC=CC=C2C)CC1)O |
| Synonyms | 1-(2-methylphenyl)cyclopropane-1-carboxylic acid,
1-(2-methylphenyl)cyclopropanecarboxylic acid,
886366-10-5,
AC1Q2EN8,
SCHEMBL4589388,
STL433082,
ZINC20059062,
AKOS000112910,
AB39462,
MCULE-3916547709,
NE32052,
SY181769,
CS-0089010,
ST45020170,
EN300-61030,
MFCD07374437 (95%),
Z1259155882,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number