| CAS Number | 154392-17-3 |
| Catalog Number | AG01BCW9(AGN-PC-0WOV6C) |
| Chemical Name | 5-Hydroxybenzo[d][1,3]dioxole-4-carbaldehyde |
| IUPAC Name | 5-hydroxy-1,3-benzodioxole-4-carbaldehyde |
| InChI | InChI=1S/C8H6O4/c9-3-5-6(10)1-2-7-8(5)12-4-11-7/h1-3,10H,4H2 |
| InChI Key | MYYYWXYZYYRXHL-UHFFFAOYSA-N |
| MDL Number | MFCD24675906 |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.1308 |
| SMILES | O=CC1=C2OCOC2=CC=C1O |
| Synonyms | 5-hydroxy-2H-1,3-benzodioxole-4-carbaldehyde,
5-hydroxy-1,3-benzodioxole-4-carbaldehyde,
154392-17-3,
SCHEMBL2210040,
MYYYWXYZYYRXHL-UHFFFAOYSA-N,
ZINC96300592,
AKOS023810041,
2-Hydroxy-5,6-(epoxymethanoxy)benzaldehyde,
J3.610.705G,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.132g/mol |
| Monoisotopic Mass | 166.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number