| CAS Number | 70170-90-0 |
| Catalog Number | AG01A7UR |
| Chemical Name | 3-(3-Formylphenoxy)propanoic acid |
| IUPAC Name | 3-(3-formylphenoxy)propanoic acid |
| InChI | InChI=1S/C10H10O4/c11-7-8-2-1-3-9(6-8)14-5-4-10(12)13/h1-3,6-7H,4-5H2,(H,12,13) |
| InChI Key | VPDYHAJZJLWFRD-UHFFFAOYSA-N |
| MDL Number | MFCD11649837 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.1840 |
| SMILES | OC(CCOC1=CC(C=O)=CC=C1)=O |
| Synonyms | 3-(3-formylphenoxy)propanoic acid,
70170-90-0,
AC1Q75PJ,
SCHEMBL2554151,
CTK7H9921,
ZINC20457139,
AKOS008127429,
MCULE-3027395669,
NE31495,
EN300-59868,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.186g/mol |
| Monoisotopic Mass | 194.058g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number