| CAS Number | 96292-92-1 |
| Catalog Number | AG00JAES(AGN-PC-00MRFX) |
| Chemical Name | 3,4-Dihydro-1H-2-benzopyran-1-ylmethanol |
| IUPAC Name | 3,4-dihydro-1H-isochromen-1-ylmethanol |
| InChI | InChI=1S/C10H12O2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10-11H,5-7H2 |
| InChI Key | ZJTGUAIAPXPCQE-UHFFFAOYSA-N |
| MDL Number | MFCD08273474 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | C1(OCCC2=C1C=CC=C2)CO |
| Synonyms | 96292-92-1,
3,4-dihydro-1H-isochromen-1-ylmethanol,
isochromanylmethan-1-ol,
3,4-Dihydro-1H-2-benzopyran-1-ylmethanol,
1H-2-Benzopyran-1-methanol, 3,4-dihydro-,
(isochroman-1-yl)methanol,
SCHEMBL7345136,
ZJTGUAIAPXPCQE-UHFFFAOYSA-N,
SBB014270,
STK689795,
AKOS005601902,
MCULE-2764839573,
ST4134014,
(3,4-Dihydro-1H-2-benzopyran-1-yl)methanol,
F2147-1237,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number