| CAS Number | 942-56-3 |
| Catalog Number | AG00IHYN(AGN-PC-0NI423) |
| Chemical Name | 2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-ol |
| IUPAC Name | 2,2-dimethyl-3,4-dihydrochromen-5-ol |
| InChI | InChI=1S/C11H14O2/c1-11(2)7-6-8-9(12)4-3-5-10(8)13-11/h3-5,12H,6-7H2,1-2H3 |
| InChI Key | JUGVPGKEWZKFAX-UHFFFAOYSA-N |
| MDL Number | MFCD10698827 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | CC1(OC2=C(C(=CC=C2)O)CC1)C |
| Synonyms | 2,2-dimethylchroman-5-ol,
942-56-3,
2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-ol,
5-hydroxy-2,2-dimethylchroman,
SCHEMBL5312088,
MFCD24448060,
ZINC38889979,
AKOS022639974,
AS-40333,
2H-1-Benzopyran-5-ol, 3,4-dihydro-2,2-dimethyl-,
F2147-8386,
Z1992316393,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number