| CAS Number | 74815-17-1 |
| Catalog Number | AG00G7SF(AGN-PC-0OHISK) |
| Chemical Name | (2E)-3-(3-formylphenyl)prop-2-enoic acid |
| IUPAC Name | (E)-3-(3-formylphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C10H8O3/c11-7-9-3-1-2-8(6-9)4-5-10(12)13/h1-7H,(H,12,13)/b5-4+ |
| InChI Key | PQXAPANLBKXEKT-SNAWJCMRSA-N |
| MDL Number | MFCD08701711 |
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.1687 |
| SMILES | C(=CC(=O)O)/c1cc(C=O)ccc1 |
| Synonyms | 3-Formylcinnamic acid,
56030-23-0,
SCHEMBL2323099,
SCHEMBL2323106,
3-(3-Formylphenyl)acrylic acid,
ZINC26544701,
(E)-3-(3-Formylphenyl)acrylic acid,
AKOS004116466,
2-Propenoic acid, 3-(3-formylphenyl)-,
74815-17-1,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 176.047344g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.17g/mol |
| Monoisotopic Mass | 176.047344g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number