| CAS Number | 1047680-61-4 |
| Catalog Number | AG00HAEM |
| Chemical Name | 3-(Cyclopropylmethoxy)-benzoic acid |
| IUPAC Name | 3-(cyclopropylmethoxy)benzoic acid |
| InChI | InChI=1S/C11H12O3/c12-11(13)9-2-1-3-10(6-9)14-7-8-4-5-8/h1-3,6,8H,4-5,7H2,(H,12,13) |
| InChI Key | WKMIJKYUMSWZGZ-UHFFFAOYSA-N |
| MDL Number | MFCD12138595 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | C1(CC1)COC=1C=C(C(=O)O)C=CC1 |
| Synonyms | 3-(cyclopropylmethoxy)benzoic Acid,
1047680-61-4,
3-(Cyclopropylmethoxy)-benzoic acid,
Benzoic acid, 3-(cyclopropylmethoxy)-,
SCHEMBL3060401,
WKMIJKYUMSWZGZ-UHFFFAOYSA-N,
MFCD12138595,
ZINC36765140,
AKOS009590818,
BBV-25187346,
OR451161,
FT-0703265,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number