| CAS Number | 923132-86-9 |
| Catalog Number | AG00GUD9(AGN-PC-0WBP5D) |
| Chemical Name | 3-[(3-Methylbenzyl)oxy]benzoic acid |
| IUPAC Name | 3-[(3-methylphenyl)methoxy]benzoic acid |
| InChI | InChI=1S/C15H14O3/c1-11-4-2-5-12(8-11)10-18-14-7-3-6-13(9-14)15(16)17/h2-9H,10H2,1H3,(H,16,17) |
| InChI Key | CPFXBFCQYVWPFP-UHFFFAOYSA-N |
| MDL Number | MFCD08444968 |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.2699 |
| SMILES | CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)O |
| Synonyms | 3-[(3-methylbenzyl)oxy]benzoic acid,
923132-86-9,
3-((3-Methylbenzyl)oxy)benzoic acid,
3-[(3-methylphenyl)methoxy]benzoic acid,
AC1Q2IOU,
CTK6C1136,
3-(3-methylbenzyloxy)benzoic acid,
ALBB-009075,
3270AF,
BBL037769,
MFCD08444968,
STK505715,
ZINC11802632,
AKOS000264257,
MCULE-6363149413,
TR-060964,
EN300-27389,
J-511427,
C15H14O3,
T0135,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.274g/mol |
| Monoisotopic Mass | 242.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number