| CAS Number | 479578-95-5 |
| Catalog Number | AG00DASH(AGN-PC-0L1CTZ) |
| Chemical Name | 3-[(4-formylphenoxy)methyl]benzoic Acid |
| IUPAC Name | 3-[(4-formylphenoxy)methyl]benzoic acid |
| InChI | InChI=1S/C15H12O4/c16-9-11-4-6-14(7-5-11)19-10-12-2-1-3-13(8-12)15(17)18/h1-9H,10H2,(H,17,18) |
| InChI Key | NALDNBPQKSJDKB-UHFFFAOYSA-N |
| MDL Number | MFCD02605348 |
| Molecular Formula | C15H12O4 |
| Molecular Weight | 256.2534 |
| SMILES | C(=O)C1=CC=C(OCC=2C=C(C(=O)O)C=CC2)C=C1 |
| Synonyms | 3-[(4-formylphenoxy)methyl]benzoic Acid,
479578-95-5,
AC1MZETS,
Oprea1_119737,
Oprea1_815762,
CTK4J0509,
DTXSID70397656,
CHEMBRDG-BB 6466340,
SP697,
ZINC2597425,
BBL025798,
MFCD02605348,
STL371499,
3-(4-formylphenoxymethyl)benzoic acid,
AKOS000111473,
MCULE-6456866778,
AJ-43721,
ST45056052,
W-9470,
CHEMBRDG-BB6466340,
CID3871381,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.257g/mol |
| Monoisotopic Mass | 256.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number