| CAS Number | 521097-97-2 |
| Catalog Number | AG00DBPL(AGN-PC-0SC29A) |
| Chemical Name | (2R)-1-(1,3-dioxaindan-5-yl)propan-2-ol |
| IUPAC Name | (2R)-1-(1,3-benzodioxol-5-yl)propan-2-ol |
| InChI | InChI=1S/C10H12O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7,11H,4,6H2,1H3/t7-/m1/s1 |
| InChI Key | RVMKZYKJYMJYDG-SSDOTTSWSA-N |
| MDL Number | MFCD11111319 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | O1COC2=C1C=CC(=C2)C[C@@H](C)O |
| Synonyms | 521097-97-2,
(2R)-1-(2H-1,3-benzodioxol-5-yl)propan-2-ol,
(R)-1-(3,4-methylenedioxyphenyl)-2-propanol,
(R)-1-(3, 4-METHYLENEDIOXYPHENYL)-2-PROPANOL,
PubChem15588,
SCHEMBL4168488,
DTXSID20717108,
ZINC1711242,
AKOS006307440,
NE30523,
(R)-1-(1,3-Benzodioxole-5-yl)-2-propanol,
-1- -2-PROPANOL,
(S)-1-Piperonyl-2-propanol,
CB10301,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number