| CAS Number | 136013-76-8 |
| Catalog Number | AG00A8T7(AGN-PC-0033SM) |
| Chemical Name | 2-(Cyclopropylmethoxy)benzoic acid |
| IUPAC Name | 2-(cyclopropylmethoxy)benzoic acid |
| InChI | InChI=1S/C11H12O3/c12-11(13)9-3-1-2-4-10(9)14-7-8-5-6-8/h1-4,8H,5-7H2,(H,12,13) |
| InChI Key | NZFRVQDXLBTTLZ-UHFFFAOYSA-N |
| MDL Number | MFCD06208775 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | OC(C1=C(OCC2CC2)C=CC=C1)=O |
| Synonyms | 2-(cyclopropylmethoxy)benzoic acid,
136013-76-8,
2-(Cyclopropylmethoxy)-benzoic acid,
Benzoic acid, 2-(cyclopropylmethoxy)-,
AC1Q72KM,
SCHEMBL933677,
2-Cyclopropylmethoxy-benzoic acid,
NZFRVQDXLBTTLZ-UHFFFAOYSA-N,
ZINC20080315,
AKOS000264011,
MCULE-2893095125,
NE24009,
EN300-62482,
A1-07155,
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| 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 | 2.3 |
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Certificate of Analysis
Lot Number