| CAS Number | 70170-91-1 |
| Catalog Number | AG00FE3V(AGN-PC-03ASHJ) |
| Chemical Name | 3-(4-CARBOXYPHENYL)PROPIONIC ACID, 98 |
| IUPAC Name | 3-(4-formylphenoxy)propanoic acid |
| InChI | InChI=1S/C10H10O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,7H,5-6H2,(H,12,13) |
| InChI Key | NWZYOUFOQRNNIA-UHFFFAOYSA-N |
| MDL Number | MFCD10009898 |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.1840 |
| SMILES | C(=O)C1=CC=C(OCCC(=O)O)C=C1 |
| Synonyms | 3-(4-formylphenoxy)propanoic acid,
70170-91-1,
AC1Q75PR,
SCHEMBL2562113,
CTK2I0824,
ZINC19954534,
AKOS002681085,
MCULE-2918023484,
NE28588,
Propanoic acid, 3-(4-formylphenoxy)-,
FT-0613645,
EN300-40890,
3-(4-CARBOXYPHENYL)PROPIONIC ACID, 98,
3- PROPIONICACID,98,
3-(4-Carboxyphenyl)propionic acid,
|
| Complexity | 194 |
| 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
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Certificate of Analysis
Lot Number