| CAS Number | 883846-97-7 |
| Catalog Number | AG00IF2T(AGN-PC-0WG3PE) |
| Chemical Name | 5-(Benzyloxy)-4-methoxy-2-methylbenzoic acid |
| IUPAC Name | 4-methoxy-2-methyl-5-phenylmethoxybenzoic acid |
| InChI | InChI=1S/C16H16O4/c1-11-8-14(19-2)15(9-13(11)16(17)18)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,18) |
| InChI Key | YOLDMYUUZLLBDR-UHFFFAOYSA-N |
| MDL Number | MFCD00266575 |
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.2958 |
| SMILES | COc1cc(C)c(cc1OCc1ccccc1)C(O)=O |
| Synonyms | 5-(benzyloxy)-4-methoxy-2-methylbenzoic acid,
883846-97-7,
4-methoxy-2-methyl-5-phenylmethoxybenzoic acid,
AC1NG86N,
AC1Q487R,
SCHEMBL7825765,
ZINC393481,
MFCD00266575,
AKOS024322937,
MCULE-7901033564,
5-benzyloxy-4-methoxy-2-methylbenzoic acid,
5-benzyloxy-4-methoxy-2-methyl-benzoic acid,
CS-0036694,
CID4695579,
4-methoxy-2-methyl-5-phenylmethoxy-benzoic Acid,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.3g/mol |
| Monoisotopic Mass | 272.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number